Organoheterocyclic compounds
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Isobutylene Oxide 98.0+%, TCI America™
CAS: 558-30-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00066354 InChI Key: GELKGHVAFRCJNA-UHFFFAOYSA-N Synonym: isobutylene oxide,1,2-epoxy-2-methylpropane,isobutene oxide,isobutylene epoxide,isobutyleneoxide,oxirane, 2,2-dimethyl,1,2-epoxyisobutane,1,1-dimethylethylene oxide,1,2-isobutylene oxide,2-methyl-1-propene oxide PubChem CID: 11208 IUPAC Name: 2,2-dimethyloxirane SMILES: CC1(CO1)C
| PubChem CID | 11208 |
|---|---|
| CAS | 558-30-5 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00066354 |
| SMILES | CC1(CO1)C |
| Synonym | isobutylene oxide,1,2-epoxy-2-methylpropane,isobutene oxide,isobutylene epoxide,isobutyleneoxide,oxirane, 2,2-dimethyl,1,2-epoxyisobutane,1,1-dimethylethylene oxide,1,2-isobutylene oxide,2-methyl-1-propene oxide |
| IUPAC Name | 2,2-dimethyloxirane |
| InChI Key | GELKGHVAFRCJNA-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
(S)-Epichlorohydrin 98.0+%, TCI America™
CAS: 67843-74-7 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00077760 InChI Key: BRLQWZUYTZBJKN-GSVOUGTGSA-N Synonym: s-+-epichlorohydrin,s-epichlorohydrin,2s-2-chloromethyl oxirane,s-chloromethyl oxirane,s-3-chloropropylene oxide,s-2-chloromethyl oxirane,epichlorohydrin, +,unii-scr89b4r6o,ccris 6388 PubChem CID: 149428 ChEBI: CHEBI:37145 IUPAC Name: (2S)-2-(chloromethyl)oxirane SMILES: ClC[C@@H]1CO1
| PubChem CID | 149428 |
|---|---|
| CAS | 67843-74-7 |
| Molecular Weight (g/mol) | 92.52 |
| ChEBI | CHEBI:37145 |
| MDL Number | MFCD00077760 |
| SMILES | ClC[C@@H]1CO1 |
| Synonym | s-+-epichlorohydrin,s-epichlorohydrin,2s-2-chloromethyl oxirane,s-chloromethyl oxirane,s-3-chloropropylene oxide,s-2-chloromethyl oxirane,epichlorohydrin, +,unii-scr89b4r6o,ccris 6388 |
| IUPAC Name | (2S)-2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-GSVOUGTGSA-N |
| Molecular Formula | C3H5ClO |
2-Amino-5-nitropyridine 98.0+%, TCI America™
CAS: 4214-76-0 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006325 InChI Key: UGSBCCAHDVCHGI-UHFFFAOYSA-N Synonym: 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin PubChem CID: 77888 IUPAC Name: 5-nitropyridin-2-amine SMILES: NC1=CC=C(C=N1)[N+]([O-])=O
| PubChem CID | 77888 |
|---|---|
| CAS | 4214-76-0 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006325 |
| SMILES | NC1=CC=C(C=N1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin |
| IUPAC Name | 5-nitropyridin-2-amine |
| InChI Key | UGSBCCAHDVCHGI-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
5-Formyl-2-furancarboxylic Acid 98.0+%, TCI America™
CAS: 13529-17-4 Molecular Formula: C6H4O4 Molecular Weight (g/mol): 140.094 MDL Number: MFCD00020924 InChI Key: SHNRXUWGUKDPMA-UHFFFAOYSA-N Synonym: 5-Formyl-2-furoic Acid, Furfural-5-carboxylic Acid PubChem CID: 2793719 ChEBI: CHEBI:84206 IUPAC Name: 5-formylfuran-2-carboxylic acid SMILES: C1=C(OC(=C1)C(=O)O)C=O
| PubChem CID | 2793719 |
|---|---|
| CAS | 13529-17-4 |
| Molecular Weight (g/mol) | 140.094 |
| ChEBI | CHEBI:84206 |
| MDL Number | MFCD00020924 |
| SMILES | C1=C(OC(=C1)C(=O)O)C=O |
| Synonym | 5-Formyl-2-furoic Acid, Furfural-5-carboxylic Acid |
| IUPAC Name | 5-formylfuran-2-carboxylic acid |
| InChI Key | SHNRXUWGUKDPMA-UHFFFAOYSA-N |
| Molecular Formula | C6H4O4 |
1-Acetylpyrrolidine 97.0+%, TCI America™
CAS: 4030-18-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00014096 InChI Key: LNWWQYYLZVZXKS-UHFFFAOYSA-N PubChem CID: 77650 IUPAC Name: 1-pyrrolidin-1-ylethanone SMILES: CC(=O)N1CCCC1
| PubChem CID | 77650 |
|---|---|
| CAS | 4030-18-6 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00014096 |
| SMILES | CC(=O)N1CCCC1 |
| IUPAC Name | 1-pyrrolidin-1-ylethanone |
| InChI Key | LNWWQYYLZVZXKS-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
2,4-Diaminopyrimidine 98.0+%, TCI America™
CAS: 156-81-0 Molecular Formula: C4H6N4 Molecular Weight (g/mol): 110.12 MDL Number: MFCD00038023 InChI Key: YAAWASYJIRZXSZ-UHFFFAOYSA-N Synonym: 2,4-diaminopyrimidine,2,4-pyrimidinediamine,2,6-diaminopyrimidine,pyrimidinediamine,diaminopyrimidine,pyrimidine, 2,4-diamino,2,4-diamino-pyrimidine,pyrimidine-2,4-diyldiamine,2,4-pyrimidinediamine 9ci,4-amino-2-pyrimidineamine PubChem CID: 67431 ChEBI: CHEBI:43745 IUPAC Name: pyrimidine-2,4-diamine SMILES: C1=CN=C(N=C1N)N
| PubChem CID | 67431 |
|---|---|
| CAS | 156-81-0 |
| Molecular Weight (g/mol) | 110.12 |
| ChEBI | CHEBI:43745 |
| MDL Number | MFCD00038023 |
| SMILES | C1=CN=C(N=C1N)N |
| Synonym | 2,4-diaminopyrimidine,2,4-pyrimidinediamine,2,6-diaminopyrimidine,pyrimidinediamine,diaminopyrimidine,pyrimidine, 2,4-diamino,2,4-diamino-pyrimidine,pyrimidine-2,4-diyldiamine,2,4-pyrimidinediamine 9ci,4-amino-2-pyrimidineamine |
| IUPAC Name | pyrimidine-2,4-diamine |
| InChI Key | YAAWASYJIRZXSZ-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4 |
(S)-3-Amino-1-tert-butoxycarbonylpiperidine 95.0+%, TCI America™
CAS: 625471-18-3 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.28 MDL Number: MFCD03094718 InChI Key: AKQXKEBCONUWCL-UHFFFAOYNA-N Synonym: s-1-boc-3-aminopiperidine,s-3-amino-1-n-boc-piperidine,tert-butyl 3s-3-aminopiperidine-1-carboxylate,s-tert-butyl 3-aminopiperidine-1-carboxylate,s-3-amino-1-boc-piperidine,s-+-3-amino-1-boc-piperidine,3s-3-aminopiperidine, n1-boc protected,s-1-boc-3-amniopiperidine,s-3-amino-piperidine-1-carboxylic acid tert-butyl ester,s-3-amino-n-tboc-piperidine PubChem CID: 1501975 IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(N)C1
| PubChem CID | 1501975 |
|---|---|
| CAS | 625471-18-3 |
| Molecular Weight (g/mol) | 200.28 |
| MDL Number | MFCD03094718 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(N)C1 |
| Synonym | s-1-boc-3-aminopiperidine,s-3-amino-1-n-boc-piperidine,tert-butyl 3s-3-aminopiperidine-1-carboxylate,s-tert-butyl 3-aminopiperidine-1-carboxylate,s-3-amino-1-boc-piperidine,s-+-3-amino-1-boc-piperidine,3s-3-aminopiperidine, n1-boc protected,s-1-boc-3-amniopiperidine,s-3-amino-piperidine-1-carboxylic acid tert-butyl ester,s-3-amino-n-tboc-piperidine |
| IUPAC Name | tert-butyl 3-aminopiperidine-1-carboxylate |
| InChI Key | AKQXKEBCONUWCL-UHFFFAOYNA-N |
| Molecular Formula | C10H20N2O2 |
2-Amino-6-methyl-3-nitropyridine 98.0+%, TCI America™
CAS: 21901-29-1 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00047443 InChI Key: LCJXSRQGDONHRK-UHFFFAOYSA-N Synonym: 2-amino-3-nitro-6-picoline,2-amino-6-methyl-3-nitropyridine,2-amino-3-nitro-6-methylpyridine,6-amino-5-nitro-2-picoline,6-methyl-3-nitro-pyridin-2-ylamine,6-methyl-3-nitro-2-pyridinamine,2-pyridinamine, 6-methyl-3-nitro,6-methyl-3-nitro-2-pyridylamine,6-methyl-3-nitropyridin-2-amin,2-amino-3-nitro-6-picoline 2-amino-6-methyl-3-nitropyridine PubChem CID: 226028 IUPAC Name: 6-methyl-3-nitropyridin-2-amine SMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])N
| PubChem CID | 226028 |
|---|---|
| CAS | 21901-29-1 |
| Molecular Weight (g/mol) | 153.141 |
| MDL Number | MFCD00047443 |
| SMILES | CC1=NC(=C(C=C1)[N+](=O)[O-])N |
| Synonym | 2-amino-3-nitro-6-picoline,2-amino-6-methyl-3-nitropyridine,2-amino-3-nitro-6-methylpyridine,6-amino-5-nitro-2-picoline,6-methyl-3-nitro-pyridin-2-ylamine,6-methyl-3-nitro-2-pyridinamine,2-pyridinamine, 6-methyl-3-nitro,6-methyl-3-nitro-2-pyridylamine,6-methyl-3-nitropyridin-2-amin,2-amino-3-nitro-6-picoline 2-amino-6-methyl-3-nitropyridine |
| IUPAC Name | 6-methyl-3-nitropyridin-2-amine |
| InChI Key | LCJXSRQGDONHRK-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O2 |
1-(3-Hydroxybenzyl)piperidine 98.0+%, TCI America™
CAS: 73279-04-6 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00800250 InChI Key: ORGBERFQYFWYGX-UHFFFAOYSA-N Synonym: 3-1-piperidinylmethyl phenol,3-piperidin-1-ylmethyl phenol,3-1-piperidinomethyl phenol,1-3-hydroxybenzyl piperidine,3-piperidinomethyl phenol,3-1-piperidylmethyl phenol,phenol, 3-1-piperidinylmethyl,1-3-hydroxyphenylmethyl piperidine,pubchem6815,3-piperidinomethylphenol PubChem CID: 826974 IUPAC Name: 3-(piperidin-1-ylmethyl)phenol SMILES: C1CCN(CC1)CC2=CC(=CC=C2)O
| PubChem CID | 826974 |
|---|---|
| CAS | 73279-04-6 |
| Molecular Weight (g/mol) | 191.274 |
| MDL Number | MFCD00800250 |
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)O |
| Synonym | 3-1-piperidinylmethyl phenol,3-piperidin-1-ylmethyl phenol,3-1-piperidinomethyl phenol,1-3-hydroxybenzyl piperidine,3-piperidinomethyl phenol,3-1-piperidylmethyl phenol,phenol, 3-1-piperidinylmethyl,1-3-hydroxyphenylmethyl piperidine,pubchem6815,3-piperidinomethylphenol |
| IUPAC Name | 3-(piperidin-1-ylmethyl)phenol |
| InChI Key | ORGBERFQYFWYGX-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
2,5-Dibromo-3-hexylthiophene 97.0+%, TCI America™
CAS: 116971-11-0 Molecular Formula: C10H14Br2S Molecular Weight (g/mol): 326.09 MDL Number: MFCD00274313 InChI Key: NSYFIAVPXHGRSH-UHFFFAOYSA-N PubChem CID: 3936632 IUPAC Name: 2,5-dibromo-3-hexylthiophene SMILES: CCCCCCC1=C(Br)SC(Br)=C1
| PubChem CID | 3936632 |
|---|---|
| CAS | 116971-11-0 |
| Molecular Weight (g/mol) | 326.09 |
| MDL Number | MFCD00274313 |
| SMILES | CCCCCCC1=C(Br)SC(Br)=C1 |
| IUPAC Name | 2,5-dibromo-3-hexylthiophene |
| InChI Key | NSYFIAVPXHGRSH-UHFFFAOYSA-N |
| Molecular Formula | C10H14Br2S |
4,4'-Dinonyl-2,2'-bipyridyl 98.0+%, TCI America™
CAS: 142646-58-0 Molecular Formula: C28H44N2 Molecular Weight (g/mol): 408.674 MDL Number: MFCD00800915 InChI Key: VHJFWJXYEWHCGD-UHFFFAOYSA-N Synonym: 4,4'-dinonyl-2,2'-bipyridine,4,4'-dinonyl-2,2'-bipyridyl,4-nonyl-2-4-nonylpyridin-2-yl pyridine,2,2'-bipyridine, 4,4'-dinonyl,4,4'-bis nonyl-2,2'-bipyridine,dnbpy,acmc-1cctu,bpdn01,4,4-dinonyl-2,2-bipyridine,4,4-dinoyl-2,2-dipyridyl PubChem CID: 4285174 IUPAC Name: 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine SMILES: CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC
| PubChem CID | 4285174 |
|---|---|
| CAS | 142646-58-0 |
| Molecular Weight (g/mol) | 408.674 |
| MDL Number | MFCD00800915 |
| SMILES | CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC |
| Synonym | 4,4'-dinonyl-2,2'-bipyridine,4,4'-dinonyl-2,2'-bipyridyl,4-nonyl-2-4-nonylpyridin-2-yl pyridine,2,2'-bipyridine, 4,4'-dinonyl,4,4'-bis nonyl-2,2'-bipyridine,dnbpy,acmc-1cctu,bpdn01,4,4-dinonyl-2,2-bipyridine,4,4-dinoyl-2,2-dipyridyl |
| IUPAC Name | 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine |
| InChI Key | VHJFWJXYEWHCGD-UHFFFAOYSA-N |
| Molecular Formula | C28H44N2 |
Ethyl 2,6-Dichloronicotinate 98.0+%, TCI America™
CAS: 58584-86-4 Molecular Formula: C8H7Cl2NO2 Molecular Weight (g/mol): 220.05 MDL Number: MFCD09757510 InChI Key: KKYBVLDQTWQETN-UHFFFAOYSA-N Synonym: 2,6-Dichloronicotinic Acid Ethyl Ester, Ethyl 2,6-Dichloropyridine-3-carboxylate, 2,6-Dichloropyridine-3-carboxylic Acid Ethyl Ester PubChem CID: 12263987 IUPAC Name: ethyl 2,6-dichloropyridine-3-carboxylate SMILES: CCOC(=O)C1=C(Cl)N=C(Cl)C=C1
| PubChem CID | 12263987 |
|---|---|
| CAS | 58584-86-4 |
| Molecular Weight (g/mol) | 220.05 |
| MDL Number | MFCD09757510 |
| SMILES | CCOC(=O)C1=C(Cl)N=C(Cl)C=C1 |
| Synonym | 2,6-Dichloronicotinic Acid Ethyl Ester, Ethyl 2,6-Dichloropyridine-3-carboxylate, 2,6-Dichloropyridine-3-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,6-dichloropyridine-3-carboxylate |
| InChI Key | KKYBVLDQTWQETN-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl2NO2 |
2,4-Dimethyl-6-hydroxypyrimidine 98.0+%, TCI America™
CAS: 6622-92-0 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00006105 InChI Key: UQFHLJKWYIJISA-UHFFFAOYSA-N Synonym: 2,4-dimethyl-6-hydroxypyrimidine,2,6-dimethylpyrimidin-4-ol,4-hydroxy-2,6-dimethylpyrimidine,6-hydroxy-2,4-dimethylpyrimidine,2,6-dimethyl-4-pyrimidinol,4 1h-pyrimidinone, 2,6-dimethyl,2,6-dimethyl-4-hydroxypyrimidine,2,6-dimethylpyrimidin-4 3h-one,2,4-dimethyl-6-oxypyrimidine,t6vm dnj c1 e1 PubChem CID: 81098 IUPAC Name: 2,6-dimethyl-1H-pyrimidin-4-one SMILES: CC1=CC(=O)N=C(N1)C
| PubChem CID | 81098 |
|---|---|
| CAS | 6622-92-0 |
| Molecular Weight (g/mol) | 124.143 |
| MDL Number | MFCD00006105 |
| SMILES | CC1=CC(=O)N=C(N1)C |
| Synonym | 2,4-dimethyl-6-hydroxypyrimidine,2,6-dimethylpyrimidin-4-ol,4-hydroxy-2,6-dimethylpyrimidine,6-hydroxy-2,4-dimethylpyrimidine,2,6-dimethyl-4-pyrimidinol,4 1h-pyrimidinone, 2,6-dimethyl,2,6-dimethyl-4-hydroxypyrimidine,2,6-dimethylpyrimidin-4 3h-one,2,4-dimethyl-6-oxypyrimidine,t6vm dnj c1 e1 |
| IUPAC Name | 2,6-dimethyl-1H-pyrimidin-4-one |
| InChI Key | UQFHLJKWYIJISA-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O |
4,6-Dichloropyrimidine 98.0+%, TCI America™
CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1
| PubChem CID | 70943 |
|---|---|
| CAS | 1193-21-1 |
| Molecular Weight (g/mol) | 148.97 |
| MDL Number | MFCD00006109 |
| SMILES | ClC1=CC(Cl)=NC=N1 |
| Synonym | pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine |
| IUPAC Name | 4,6-dichloropyrimidine |
| InChI Key | XJPZKYIHCLDXST-UHFFFAOYSA-N |
| Molecular Formula | C4H2Cl2N2 |
3-Fluoro-4-morpholinoaniline 98.0+%, TCI America™
CAS: 93246-53-8 Molecular Formula: C10H13FN2O Molecular Weight (g/mol): 196.23 MDL Number: MFCD02571270 InChI Key: FQGIBHQUVCGEAC-UHFFFAOYSA-N Synonym: 4-(2-Fluoro-4-aminophenyl)morpholine PubChem CID: 1485330 IUPAC Name: 3-fluoro-4-(morpholin-4-yl)aniline SMILES: NC1=CC(F)=C(C=C1)N1CCOCC1
| PubChem CID | 1485330 |
|---|---|
| CAS | 93246-53-8 |
| Molecular Weight (g/mol) | 196.23 |
| MDL Number | MFCD02571270 |
| SMILES | NC1=CC(F)=C(C=C1)N1CCOCC1 |
| Synonym | 4-(2-Fluoro-4-aminophenyl)morpholine |
| IUPAC Name | 3-fluoro-4-(morpholin-4-yl)aniline |
| InChI Key | FQGIBHQUVCGEAC-UHFFFAOYSA-N |
| Molecular Formula | C10H13FN2O |