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Unclassified Organic Compounds

Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.
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1 – 15 of 234 results
1

(4-Methylpiperidino)(2-piperidinyl)methanone hydrochloride, 95%, Thermo Scientific™

CAS: 690634-80-1 Molecular Formula: C12H23ClN2O Molecular Weight (g/mol): 246.779 MDL Number: MFCD06407988 InChI Key: ITPHYLQZNJAUDV-UHFFFAOYSA-N Synonym: 4-methylpiperidino 2-piperidinyl methanone hydrochloride,4-methyl-1-piperidinyl 2-piperidinyl methanone hydrochloride,4-methyl-1-piperidine-2-carbonyl piperidine hydrochloride,4-methylpiperidin-1-yl piperidin-2-yl methanone hydrochloride,4-methylpiperidyl 2-piperidyl ketone, chloride,4-methylpiperidin-1-yl-piperidin-2-ylmethanone hydrochloride,4-methylpiperidin-1-yl piperidin-2-yl methanone-hydrogen chloride 1/1 PubChem CID: 2794697 IUPAC Name: (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride SMILES: CC1CCN(CC1)C(=O)C2CCCCN2.Cl

PubChem CID 2794697
CAS 690634-80-1
Molecular Weight (g/mol) 246.779
MDL Number MFCD06407988
SMILES CC1CCN(CC1)C(=O)C2CCCCN2.Cl
Synonym 4-methylpiperidino 2-piperidinyl methanone hydrochloride,4-methyl-1-piperidinyl 2-piperidinyl methanone hydrochloride,4-methyl-1-piperidine-2-carbonyl piperidine hydrochloride,4-methylpiperidin-1-yl piperidin-2-yl methanone hydrochloride,4-methylpiperidyl 2-piperidyl ketone, chloride,4-methylpiperidin-1-yl-piperidin-2-ylmethanone hydrochloride,4-methylpiperidin-1-yl piperidin-2-yl methanone-hydrogen chloride 1/1
IUPAC Name (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
InChI Key ITPHYLQZNJAUDV-UHFFFAOYSA-N
Molecular Formula C12H23ClN2O
2

ethyle2-(3-oxo-2-piperazinyl)acetate, 97%, Thermo Scientific™

CAS: 33422-35-4 Molecular Formula: C8H14N2O3 Molecular Weight (g/mol): 186.211 MDL Number: MFCD00052897 InChI Key: HNYRNJAZRKCHSC-UHFFFAOYSA-N Synonym: ethyl 2-3-oxopiperazin-2-yl acetate,ethyl 2-3-oxo-2-piperazinyl acetate,2-piperazineacetic acid, 3-oxo-, ethyl ester,3-oxo-piperazin-2-yl-acetic acid ethyl ester,ethyl 3-oxopiperazine-2-acetate,ethyl 3-oxo-2-piperazinyl acetate,ethyl 3-oxopiperazin-2-yl acetate,ethyl 2s-3-oxopiperazin-2-yl acetate,pubchem17782,ethyloxopiperazinylacetate PubChem CID: 544550 IUPAC Name: ethyl 2-(3-oxopiperazin-2-yl)acetate SMILES: CCOC(=O)CC1C(=O)NCCN1

PubChem CID 544550
CAS 33422-35-4
Molecular Weight (g/mol) 186.211
MDL Number MFCD00052897
SMILES CCOC(=O)CC1C(=O)NCCN1
Synonym ethyl 2-3-oxopiperazin-2-yl acetate,ethyl 2-3-oxo-2-piperazinyl acetate,2-piperazineacetic acid, 3-oxo-, ethyl ester,3-oxo-piperazin-2-yl-acetic acid ethyl ester,ethyl 3-oxopiperazine-2-acetate,ethyl 3-oxo-2-piperazinyl acetate,ethyl 3-oxopiperazin-2-yl acetate,ethyl 2s-3-oxopiperazin-2-yl acetate,pubchem17782,ethyloxopiperazinylacetate
IUPAC Name ethyl 2-(3-oxopiperazin-2-yl)acetate
InChI Key HNYRNJAZRKCHSC-UHFFFAOYSA-N
Molecular Formula C8H14N2O3
3

(6-Phenyl-3-pyridinyl)methanol, 97%, Thermo Scientific™

CAS: 4634-09-7 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.23 MDL Number: MFCD03086132 InChI Key: RXXIVABOKBNIEI-UHFFFAOYSA-N Synonym: 6-phenylpyridin-3-yl methanol,6-phenyl-3-pyridinyl methanol,3-pyridinemethanol, 6-phenyl,6-phenyl-3-pyridylmethanol,3-pyridinemethanol,6-phenyl,6-phenyl-3-pyridyl-methanol,2-phenyl-5-hydroxymethylpyridine,rxxivabokbniei-uhfffaoysa-n,6-phenyl-3-pyridyl methan-1-ol PubChem CID: 22254216

PubChem CID 22254216
CAS 4634-09-7
Molecular Weight (g/mol) 185.23
MDL Number MFCD03086132
Synonym 6-phenylpyridin-3-yl methanol,6-phenyl-3-pyridinyl methanol,3-pyridinemethanol, 6-phenyl,6-phenyl-3-pyridylmethanol,3-pyridinemethanol,6-phenyl,6-phenyl-3-pyridyl-methanol,2-phenyl-5-hydroxymethylpyridine,rxxivabokbniei-uhfffaoysa-n,6-phenyl-3-pyridyl methan-1-ol
InChI Key RXXIVABOKBNIEI-UHFFFAOYSA-N
Molecular Formula C12H11NO
4

5H-Chromeno[2,3-b]pyridin-5-one, 97%, Thermo Scientific™

CAS: 6537-46-8 Molecular Formula: C12H7NO2 MDL Number: MFCD00052253

CAS 6537-46-8
MDL Number MFCD00052253
Molecular Formula C12H7NO2
5

Diethyle2,5-dibromohexanedioate, 97%, Thermo Scientific™

CAS: 869-10-3 Molecular Formula: C10H16Br2O4 Molecular Weight (g/mol): 360.04 MDL Number: MFCD00075379 InChI Key: UBCNJHBDCUBIPB-UHFFFAOYNA-N Synonym: diethyl 2,5-dibromoadipate,diethyl meso-2,5-dibromoadipate,1,6-diethyl 2,5-dibromohexanedioate,2,5-dibromoadipic acid diethyl ester,hexanedioic acid, 2,5-dibromo-, diethyl ester,diethyl2,5-dibromohexanedioate,2,5-dibromohexanedioic acid diethyl ester,acmc-1bjoi,diethylmeso-dibromoadipate,diethylmeso-2,5-dibromoadipate PubChem CID: 241588 IUPAC Name: diethyl 2,5-dibromohexanedioate SMILES: CCOC(=O)C(Br)CCC(Br)C(=O)OCC

PubChem CID 241588
CAS 869-10-3
Molecular Weight (g/mol) 360.04
MDL Number MFCD00075379
SMILES CCOC(=O)C(Br)CCC(Br)C(=O)OCC
Synonym diethyl 2,5-dibromoadipate,diethyl meso-2,5-dibromoadipate,1,6-diethyl 2,5-dibromohexanedioate,2,5-dibromoadipic acid diethyl ester,hexanedioic acid, 2,5-dibromo-, diethyl ester,diethyl2,5-dibromohexanedioate,2,5-dibromohexanedioic acid diethyl ester,acmc-1bjoi,diethylmeso-dibromoadipate,diethylmeso-2,5-dibromoadipate
IUPAC Name diethyl 2,5-dibromohexanedioate
InChI Key UBCNJHBDCUBIPB-UHFFFAOYNA-N
Molecular Formula C10H16Br2O4
6

4-(thien-2-ylmethyl)benzoic acid, Thermo Scientific™

CAS: 1002727-90-3 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 InChI Key: OAIBKSRZDOMJKZ-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl benzoic acid,4-2-thienylmethyl benzoic acid,4-thiophen-2-ylmethyl benzoic acid,4-thiophen-2-yl methyl benzoic acid PubChem CID: 20038987

PubChem CID 20038987
CAS 1002727-90-3
Molecular Weight (g/mol) 218.27
Synonym 4-thien-2-ylmethyl benzoic acid,4-2-thienylmethyl benzoic acid,4-thiophen-2-ylmethyl benzoic acid,4-thiophen-2-yl methyl benzoic acid
InChI Key OAIBKSRZDOMJKZ-UHFFFAOYSA-N
Molecular Formula C12H10O2S
7

N-methyl-[(1-phenyl-1H-imidazol-2-yl)methyl]amine, Thermo Scientific™

CAS: 1034566-07-8 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.25 InChI Key: IZYNHWOVGJNYQF-UHFFFAOYSA-N Synonym: methyl 1-phenylimidazol-2-yl methyl amine,n-methyl-1-phenyl-1h-imidazol-2-yl methyl amine,n-methyl-1-1-phenyl-1h-imidazol-2-yl methanamine PubChem CID: 45594302

PubChem CID 45594302
CAS 1034566-07-8
Molecular Weight (g/mol) 187.25
Synonym methyl 1-phenylimidazol-2-yl methyl amine,n-methyl-1-phenyl-1h-imidazol-2-yl methyl amine,n-methyl-1-1-phenyl-1h-imidazol-2-yl methanamine
InChI Key IZYNHWOVGJNYQF-UHFFFAOYSA-N
Molecular Formula C11H13N3
8

8-benzyl-8-azabicyclo[3.2.1]octan-3-endo-ol, 95%, Thermo Scientific™

CAS: 18717-73-2 Molecular Formula: C14H19NO Molecular Weight (g/mol): 217.312 MDL Number: MFCD09966164 InChI Key: HCBGIBWAPOFRKI-PBWFPOADSA-N Synonym: n-benzylnortropine,1r,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,endo-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1s,5r-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1r,3r,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1r,3s,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol PubChem CID: 14762744 IUPAC Name: (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol SMILES: C1CC2CC(CC1N2CC3=CC=CC=C3)O

PubChem CID 14762744
CAS 18717-73-2
Molecular Weight (g/mol) 217.312
MDL Number MFCD09966164
SMILES C1CC2CC(CC1N2CC3=CC=CC=C3)O
Synonym n-benzylnortropine,1r,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,endo-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1s,5r-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1r,3r,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol,1r,3s,5s-8-benzyl-8-azabicyclo 3.2.1 octan-3-ol
IUPAC Name (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
InChI Key HCBGIBWAPOFRKI-PBWFPOADSA-N
Molecular Formula C14H19NO
9

2-bromo-1-phenyl-1H-imidazole, Thermo Scientific™

CAS: 1034566-05-6 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 InChI Key: KKPQUNLAAJJUCR-UHFFFAOYSA-N Synonym: 2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole PubChem CID: 45594301

PubChem CID 45594301
CAS 1034566-05-6
Molecular Weight (g/mol) 223.07
Synonym 2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole
InChI Key KKPQUNLAAJJUCR-UHFFFAOYSA-N
Molecular Formula C9H7BrN2
10

N-Benzyltropinone, 97%, Thermo Scientific™

CAS: 28957-72-4 Molecular Formula: C14H17NO Molecular Weight (g/mol): 215.30 MDL Number: MFCD00151640 InChI Key: RSUHKGOVXMXCND-UHFFFAOYNA-N Synonym: 8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one PubChem CID: 119846 IUPAC Name: 8-benzyl-8-azabicyclo[3.2.1]octan-3-one SMILES: O=C1CC2CCC(C1)N2CC1=CC=CC=C1

PubChem CID 119846
CAS 28957-72-4
Molecular Weight (g/mol) 215.30
MDL Number MFCD00151640
SMILES O=C1CC2CCC(C1)N2CC1=CC=CC=C1
Synonym 8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one
IUPAC Name 8-benzyl-8-azabicyclo[3.2.1]octan-3-one
InChI Key RSUHKGOVXMXCND-UHFFFAOYNA-N
Molecular Formula C14H17NO
11

N1-(2-Chlorophenyl)-2-bromoacetamide, 95%, Thermo Scientific™

CAS: 5439-11-2 Molecular Formula: C8H7BrClNO Molecular Weight (g/mol): 248.50 MDL Number: MFCD00173815 InChI Key: WIOJXHICOOQVAB-UHFFFAOYSA-N Synonym: 2-bromo-n-2-chlorophenyl acetamide,n1-2-chlorophenyl-2-bromoacetamide,n-bromoacetyl-2'-chloroacetaniline,wiojxhicooqvab-uhfffaoysa-n,2-bromo-n-2-chloro-phenyl-acetamide,acetamide, 2-bromo-n-2-chlorophenyl PubChem CID: 225525

PubChem CID 225525
CAS 5439-11-2
Molecular Weight (g/mol) 248.50
MDL Number MFCD00173815
Synonym 2-bromo-n-2-chlorophenyl acetamide,n1-2-chlorophenyl-2-bromoacetamide,n-bromoacetyl-2'-chloroacetaniline,wiojxhicooqvab-uhfffaoysa-n,2-bromo-n-2-chloro-phenyl-acetamide,acetamide, 2-bromo-n-2-chlorophenyl
InChI Key WIOJXHICOOQVAB-UHFFFAOYSA-N
Molecular Formula C8H7BrClNO
12

1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride, Thermo Scientific™

CAS: 1174064-55-1 Molecular Formula: C7H16Cl2N2O2 Molecular Weight (g/mol): 231.117 InChI Key: UPJQXMOMHHDOSZ-UHFFFAOYSA-N Synonym: 1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid,dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid, chloride, chloride,1,4-dimethylpiperazine-2-carboxylic acid-hydrogen chloride 1/2 PubChem CID: 45594293 IUPAC Name: 1,4-dimethylpiperazine-2-carboxylic acid;dihydrochloride SMILES: CN1CCN(C(C1)C(=O)O)C.Cl.Cl

PubChem CID 45594293
CAS 1174064-55-1
Molecular Weight (g/mol) 231.117
SMILES CN1CCN(C(C1)C(=O)O)C.Cl.Cl
Synonym 1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid,dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid, chloride, chloride,1,4-dimethylpiperazine-2-carboxylic acid-hydrogen chloride 1/2
IUPAC Name 1,4-dimethylpiperazine-2-carboxylic acid;dihydrochloride
InChI Key UPJQXMOMHHDOSZ-UHFFFAOYSA-N
Molecular Formula C7H16Cl2N2O2
13

5-Isoxazol-5-ylthiophene-2-sulfonyl chloride, Tech., Thermo Scientific™

CAS: 551930-53-1 Molecular Formula: C7H4ClNO3S2 Molecular Weight (g/mol): 249.68 InChI Key: SSGKBJJYLTYNQD-UHFFFAOYSA-N Synonym: 5-5-isoxazyl thiophene-2-sulfonyl chloride,5-isoxazol-5-ylthiophene-2-sulfonyl chloride,5-1,2-oxazol-5-yl thiophene-2-sulfonyl chloride,5-5-isoxazolyl-2-thiophenesulfonyl chloride,5-isoxazol-5-yl thiophene-2-sulfonyl chloride,chloro 5-isoxazol-5-yl 2-thienyl sulfone,ssgkbjjyltynqd-uhfffaoysa-n,5-5-isoxazyl thiophene-2-sulphonyl chloride,5-5-isoxazolyl-2-thiophenesulfonoyl chloride,5-5-isoxazolyl thiophene-2-sulfonyl chloride PubChem CID: 2795330

PubChem CID 2795330
CAS 551930-53-1
Molecular Weight (g/mol) 249.68
Synonym 5-5-isoxazyl thiophene-2-sulfonyl chloride,5-isoxazol-5-ylthiophene-2-sulfonyl chloride,5-1,2-oxazol-5-yl thiophene-2-sulfonyl chloride,5-5-isoxazolyl-2-thiophenesulfonyl chloride,5-isoxazol-5-yl thiophene-2-sulfonyl chloride,chloro 5-isoxazol-5-yl 2-thienyl sulfone,ssgkbjjyltynqd-uhfffaoysa-n,5-5-isoxazyl thiophene-2-sulphonyl chloride,5-5-isoxazolyl-2-thiophenesulfonoyl chloride,5-5-isoxazolyl thiophene-2-sulfonyl chloride
InChI Key SSGKBJJYLTYNQD-UHFFFAOYSA-N
Molecular Formula C7H4ClNO3S2
14

2-Phenyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 7113-10-2 Molecular Formula: C10H6NO2S Molecular Weight (g/mol): 204.22 MDL Number: MFCD00141954 InChI Key: IBUSLNJQKLZPNR-UHFFFAOYSA-M Synonym: 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid PubChem CID: 138928

PubChem CID 138928
CAS 7113-10-2
Molecular Weight (g/mol) 204.22
MDL Number MFCD00141954
Synonym 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid
InChI Key IBUSLNJQKLZPNR-UHFFFAOYSA-M
Molecular Formula C10H6NO2S
15

5-Bromobenzo[b]thiophene-2-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 7312-10-9 Molecular Formula: C9H4BrO2S Molecular Weight (g/mol): 256.09 MDL Number: MFCD01929338 InChI Key: ONNFNEFYXIPHCA-UHFFFAOYSA-M Synonym: 5-bromo-1-benzothiophene-2-carboxylic acid,5-bromobenzo b thiophene-2-carboxylic acid,5-bromo-benzo b thiophene-2-carboxylic acid,benzo b thiophene-2-carboxylic acid, 5-bromo,onnfnefyxiphca-uhfffaoysa-n,5-bromobenzothiophene-2-carboxylic acid,benzo b thiophene-2-carboxylicacid, 5-bromo,5-bromo-1-benzo b thiophene-2-carboxylic acid PubChem CID: 737737

PubChem CID 737737
CAS 7312-10-9
Molecular Weight (g/mol) 256.09
MDL Number MFCD01929338
Synonym 5-bromo-1-benzothiophene-2-carboxylic acid,5-bromobenzo b thiophene-2-carboxylic acid,5-bromo-benzo b thiophene-2-carboxylic acid,benzo b thiophene-2-carboxylic acid, 5-bromo,onnfnefyxiphca-uhfffaoysa-n,5-bromobenzothiophene-2-carboxylic acid,benzo b thiophene-2-carboxylicacid, 5-bromo,5-bromo-1-benzo b thiophene-2-carboxylic acid
InChI Key ONNFNEFYXIPHCA-UHFFFAOYSA-M
Molecular Formula C9H4BrO2S