Organoheterocyclic compounds
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(R)-(-)-NBD-Py-NCS 98.0+%, TCI America™
CAS: 163927-29-5 Molecular Formula: C11H9N5O3S Molecular Weight (g/mol): 291.285 MDL Number: MFCD02093434 InChI Key: CHKCHHTYBXOUKH-SSDOTTSWSA-N Synonym: (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 16218431 IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole SMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
| PubChem CID | 16218431 |
|---|---|
| CAS | 163927-29-5 |
| Molecular Weight (g/mol) | 291.285 |
| MDL Number | MFCD02093434 |
| SMILES | C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Synonym | (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole |
| IUPAC Name | 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole |
| InChI Key | CHKCHHTYBXOUKH-SSDOTTSWSA-N |
| Molecular Formula | C11H9N5O3S |
4-Methylpyrimidine 96.0+%, TCI America™
CAS: 3438-46-8 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 MDL Number: MFCD00006115 InChI Key: LVILGAOSPDLNRM-UHFFFAOYSA-N Synonym: pyrimidine, 4-methyl,4-methyl-pyrimidine,4-methyl pyrimidine,pubchem20803,6-methylpyrimidine,4-methylpyrimidine,ksc226a9b,tpc-h013,4-methyl-1,3-diazine,pyrimidine, 4-methyl-6ci,7ci,8ci,9ci PubChem CID: 18922 IUPAC Name: 4-methylpyrimidine SMILES: CC1=NC=NC=C1
| PubChem CID | 18922 |
|---|---|
| CAS | 3438-46-8 |
| Molecular Weight (g/mol) | 94.117 |
| MDL Number | MFCD00006115 |
| SMILES | CC1=NC=NC=C1 |
| Synonym | pyrimidine, 4-methyl,4-methyl-pyrimidine,4-methyl pyrimidine,pubchem20803,6-methylpyrimidine,4-methylpyrimidine,ksc226a9b,tpc-h013,4-methyl-1,3-diazine,pyrimidine, 4-methyl-6ci,7ci,8ci,9ci |
| IUPAC Name | 4-methylpyrimidine |
| InChI Key | LVILGAOSPDLNRM-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
6-Amyl-2-pyrone 96.0+%, TCI America™
CAS: 27593-23-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00047551 InChI Key: MAUFTTLGOUBZNA-UHFFFAOYSA-N Synonym: 6-Pentyl-2-pyrone, 6-Pentyl-2H-pyran-2-one PubChem CID: 33960 ChEBI: CHEBI:66729 IUPAC Name: 6-pentyl-2H-pyran-2-one SMILES: CCCCCC1=CC=CC(=O)O1
| PubChem CID | 33960 |
|---|---|
| CAS | 27593-23-3 |
| Molecular Weight (g/mol) | 166.22 |
| ChEBI | CHEBI:66729 |
| MDL Number | MFCD00047551 |
| SMILES | CCCCCC1=CC=CC(=O)O1 |
| Synonym | 6-Pentyl-2-pyrone, 6-Pentyl-2H-pyran-2-one |
| IUPAC Name | 6-pentyl-2H-pyran-2-one |
| InChI Key | MAUFTTLGOUBZNA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
2-Amino-6-chloropyrazine 98.0+%, TCI America™
CAS: 33332-28-4 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.547 MDL Number: MFCD00055024 InChI Key: JTPXVCKCLBROOJ-UHFFFAOYSA-N Synonym: 2-amino-6-chloropyrazine,2-chloro-6-aminopyrazine,2-pyrazinamine, 6-chloro,pyrazinamine, 6-chloro,6-chloro-pyrazin-2-ylamine,6-chloro-2-pyrazinamine,6-chloropyrazin-2-ylamine,2-amino-6-chloro-pyrazine,6-chloropyrazine-2-ylamine,6-amino-2-chloropyrazine PubChem CID: 118458 IUPAC Name: 6-chloropyrazin-2-amine SMILES: C1=C(N=C(C=N1)Cl)N
| PubChem CID | 118458 |
|---|---|
| CAS | 33332-28-4 |
| Molecular Weight (g/mol) | 129.547 |
| MDL Number | MFCD00055024 |
| SMILES | C1=C(N=C(C=N1)Cl)N |
| Synonym | 2-amino-6-chloropyrazine,2-chloro-6-aminopyrazine,2-pyrazinamine, 6-chloro,pyrazinamine, 6-chloro,6-chloro-pyrazin-2-ylamine,6-chloro-2-pyrazinamine,6-chloropyrazin-2-ylamine,2-amino-6-chloro-pyrazine,6-chloropyrazine-2-ylamine,6-amino-2-chloropyrazine |
| IUPAC Name | 6-chloropyrazin-2-amine |
| InChI Key | JTPXVCKCLBROOJ-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClN3 |
2-Chloro-4,6-diphenylpyrimidine 98.0+%, TCI America™
CAS: 2915-16-4 Molecular Formula: C16H11ClN2 Molecular Weight (g/mol): 266.728 MDL Number: MFCD00030776 InChI Key: QNGVEVOZKYHNGL-UHFFFAOYSA-N PubChem CID: 1804739 IUPAC Name: 2-chloro-4,6-diphenylpyrimidine SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=CC=CC=C3
| PubChem CID | 1804739 |
|---|---|
| CAS | 2915-16-4 |
| Molecular Weight (g/mol) | 266.728 |
| MDL Number | MFCD00030776 |
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=CC=CC=C3 |
| IUPAC Name | 2-chloro-4,6-diphenylpyrimidine |
| InChI Key | QNGVEVOZKYHNGL-UHFFFAOYSA-N |
| Molecular Formula | C16H11ClN2 |
1-Ethylpiperazine 98.0+%, TCI America™
CAS: 5308-25-8 Molecular Formula: C6H14N2 Molecular Weight (g/mol): 114.192 MDL Number: MFCD00059912 InChI Key: WGCYRFWNGRMRJA-UHFFFAOYSA-N Synonym: n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine PubChem CID: 79196 IUPAC Name: 1-ethylpiperazine SMILES: CCN1CCNCC1
| PubChem CID | 79196 |
|---|---|
| CAS | 5308-25-8 |
| Molecular Weight (g/mol) | 114.192 |
| MDL Number | MFCD00059912 |
| SMILES | CCN1CCNCC1 |
| Synonym | n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine |
| IUPAC Name | 1-ethylpiperazine |
| InChI Key | WGCYRFWNGRMRJA-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2 |
Pyridoxine Dicaprylate 98.0+%, TCI America™
CAS: 106483-04-9 Molecular Formula: C24H39NO5 Molecular Weight (g/mol): 421.58 MDL Number: MFCD28386112 InChI Key: PAUSGZCRNOTKPK-UHFFFAOYSA-N PubChem CID: 83816 IUPAC Name: {3-hydroxy-2-methyl-5-[(octanoyloxy)methyl]pyridin-4-yl}methyl octanoate SMILES: CCCCCCCC(=O)OCC1=CN=C(C)C(O)=C1COC(=O)CCCCCCC
| PubChem CID | 83816 |
|---|---|
| CAS | 106483-04-9 |
| Molecular Weight (g/mol) | 421.58 |
| MDL Number | MFCD28386112 |
| SMILES | CCCCCCCC(=O)OCC1=CN=C(C)C(O)=C1COC(=O)CCCCCCC |
| IUPAC Name | {3-hydroxy-2-methyl-5-[(octanoyloxy)methyl]pyridin-4-yl}methyl octanoate |
| InChI Key | PAUSGZCRNOTKPK-UHFFFAOYSA-N |
| Molecular Formula | C24H39NO5 |
2-Amino-5-fluoropyridine 98.0+%, TCI America™
CAS: 21717-96-4 Molecular Formula: C5H5FN2 Molecular Weight (g/mol): 112.11 MDL Number: MFCD01861120 InChI Key: YJTXQLYMECWULH-UHFFFAOYSA-N Synonym: 2-amino-5-fluoropyridine,5-fluoro-2-pyridinamine,5-fluoro-2-pyridineamine,5-fluoro-pyridin-2-ylamine,5-fluoro-2-pyridylamine,2-amino 5-fluoropyridine,2-pyridinamine, 5-fluoro,5-fluoro-2-aminopyridine,2-amino-5-fluoro pyridine,5-fluoropyridimine PubChem CID: 2737701 IUPAC Name: 5-fluoropyridin-2-amine SMILES: NC1=CC=C(F)C=N1
| PubChem CID | 2737701 |
|---|---|
| CAS | 21717-96-4 |
| Molecular Weight (g/mol) | 112.11 |
| MDL Number | MFCD01861120 |
| SMILES | NC1=CC=C(F)C=N1 |
| Synonym | 2-amino-5-fluoropyridine,5-fluoro-2-pyridinamine,5-fluoro-2-pyridineamine,5-fluoro-pyridin-2-ylamine,5-fluoro-2-pyridylamine,2-amino 5-fluoropyridine,2-pyridinamine, 5-fluoro,5-fluoro-2-aminopyridine,2-amino-5-fluoro pyridine,5-fluoropyridimine |
| IUPAC Name | 5-fluoropyridin-2-amine |
| InChI Key | YJTXQLYMECWULH-UHFFFAOYSA-N |
| Molecular Formula | C5H5FN2 |
Cinchonine 98.0+%, TCI America™
CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
| PubChem CID | 21862290 |
|---|---|
| CAS | 118-10-5 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00064372 |
| SMILES | [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C |
| Synonym | +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol |
| IUPAC Name | (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol |
| InChI Key | KMPWYEUPVWOPIM-FRYPIZGFNA-N |
| Molecular Formula | C19H22N2O |
2,2'-Bipyridyl-d8 98atom%D 99.0+%, TCI America™
CAS: 32190-42-4 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 164.237 MDL Number: MFCD00190432 InChI Key: ROFVEXUMMXZLPA-PGRXLJNUSA-N Synonym: 2,2′-Bipyridine-d8, Octadeutero-2,2′-bipyridyl PubChem CID: 11378683 IUPAC Name: 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuteriopyridin-2-yl)pyridine SMILES: C1=CC=NC(=C1)C2=CC=CC=N2
| PubChem CID | 11378683 |
|---|---|
| CAS | 32190-42-4 |
| Molecular Weight (g/mol) | 164.237 |
| MDL Number | MFCD00190432 |
| SMILES | C1=CC=NC(=C1)C2=CC=CC=N2 |
| Synonym | 2,2′-Bipyridine-d8, Octadeutero-2,2′-bipyridyl |
| IUPAC Name | 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuteriopyridin-2-yl)pyridine |
| InChI Key | ROFVEXUMMXZLPA-PGRXLJNUSA-N |
| Molecular Formula | C10H8N2 |
2-Chloro-5-methylpyridine 97.0+%, TCI America™
CAS: 18368-64-4 Molecular Formula: C6H6ClN Molecular Weight (g/mol): 127.57 MDL Number: MFCD00792460 InChI Key: VXLYOURCUVQYLN-UHFFFAOYSA-N Synonym: 2-chloro-5-picoline,6-chloro-3-picoline,pyridine, 2-chloro-5-methyl,2-chloro-5-methyl-pyridine,2-chloro-5-methyl pyridine,3-picoline, 6-chloro,pubchem1193,acmc-1bvpj,5-methyl-2-chloropyridine PubChem CID: 581393 IUPAC Name: 2-chloro-5-methylpyridine SMILES: CC1=CC=C(Cl)N=C1
| PubChem CID | 581393 |
|---|---|
| CAS | 18368-64-4 |
| Molecular Weight (g/mol) | 127.57 |
| MDL Number | MFCD00792460 |
| SMILES | CC1=CC=C(Cl)N=C1 |
| Synonym | 2-chloro-5-picoline,6-chloro-3-picoline,pyridine, 2-chloro-5-methyl,2-chloro-5-methyl-pyridine,2-chloro-5-methyl pyridine,3-picoline, 6-chloro,pubchem1193,acmc-1bvpj,5-methyl-2-chloropyridine |
| IUPAC Name | 2-chloro-5-methylpyridine |
| InChI Key | VXLYOURCUVQYLN-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClN |
Mepivacaine Hydrochloride 98.0+%, TCI America™
CAS: 1722-62-9 Molecular Formula: C15H23ClN2O Molecular Weight (g/mol): 282.812 MDL Number: MFCD00144738 InChI Key: RETIMRUQNCDCQB-UHFFFAOYSA-N Synonym: N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride PubChem CID: 66070 ChEBI: CHEBI:6760 IUPAC Name: N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl
| PubChem CID | 66070 |
|---|---|
| CAS | 1722-62-9 |
| Molecular Weight (g/mol) | 282.812 |
| ChEBI | CHEBI:6760 |
| MDL Number | MFCD00144738 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl |
| Synonym | N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride |
| IUPAC Name | N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride |
| InChI Key | RETIMRUQNCDCQB-UHFFFAOYSA-N |
| Molecular Formula | C15H23ClN2O |
1-Ethyl-3-methylimidazolium Methanesulfonate 98.0+%, TCI America™
CAS: 145022-45-3 Molecular Formula: C7H14N2O3S Molecular Weight (g/mol): 206.26 MDL Number: MFCD06798171 InChI Key: IXLWEDFOKSJYBD-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium methanesulfonate,1-ethyl-3-methylimidazolium mesylate,basionics'st 35,basionics™ st 35,acmc-1c0dz,dsstox_cid_29075,dsstox_rid_83294,dsstox_gsid_49219,1-ethyl-3-methyl imidazolium methyl sulfonate,1-ethyl-3-methylimidazolium me-thanesulfonate PubChem CID: 16211849 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;methanesulfonate SMILES: CCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]
| PubChem CID | 16211849 |
|---|---|
| CAS | 145022-45-3 |
| Molecular Weight (g/mol) | 206.26 |
| MDL Number | MFCD06798171 |
| SMILES | CCN1C=C[N+](=C1)C.CS(=O)(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium methanesulfonate,1-ethyl-3-methylimidazolium mesylate,basionics'st 35,basionics™ st 35,acmc-1c0dz,dsstox_cid_29075,dsstox_rid_83294,dsstox_gsid_49219,1-ethyl-3-methyl imidazolium methyl sulfonate,1-ethyl-3-methylimidazolium me-thanesulfonate |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;methanesulfonate |
| InChI Key | IXLWEDFOKSJYBD-UHFFFAOYSA-M |
| Molecular Formula | C7H14N2O3S |
5-Chloro-2-hydroxy-3-nitropyridine 98.0+%, TCI America™
CAS: 21427-61-2 Molecular Formula: C5H3ClN2O3 Molecular Weight (g/mol): 174.54 InChI Key: QVGQNICXNZMXQA-UHFFFAOYSA-N Synonym: 5-chloro-2-hydroxy-3-nitropyridine,5-chloro-3-nitropyridin-2-ol,5-chloro-3-nitro-2-pyridinol,2-hydroxy-3-nitro-5-chloropyridine,5-chloro-3-nitro-2 1h-pyridinone,2 1h-pyridinone, 5-chloro-3-nitro,pubchem6553,acmc-1cctg,ksc496c2n,5-chloro-3-nitro-2-pyridone PubChem CID: 248048 IUPAC Name: 5-chloro-3-nitro-1H-pyridin-2-one SMILES: C1=C(C(=O)NC=C1Cl)[N+](=O)[O-]
| PubChem CID | 248048 |
|---|---|
| CAS | 21427-61-2 |
| Molecular Weight (g/mol) | 174.54 |
| SMILES | C1=C(C(=O)NC=C1Cl)[N+](=O)[O-] |
| Synonym | 5-chloro-2-hydroxy-3-nitropyridine,5-chloro-3-nitropyridin-2-ol,5-chloro-3-nitro-2-pyridinol,2-hydroxy-3-nitro-5-chloropyridine,5-chloro-3-nitro-2 1h-pyridinone,2 1h-pyridinone, 5-chloro-3-nitro,pubchem6553,acmc-1cctg,ksc496c2n,5-chloro-3-nitro-2-pyridone |
| IUPAC Name | 5-chloro-3-nitro-1H-pyridin-2-one |
| InChI Key | QVGQNICXNZMXQA-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O3 |
4-Amino-3-nitropyridine 98.0+%, TCI America™
CAS: 1681-37-4 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.114 MDL Number: MFCD00160304 InChI Key: IUPPEELMBOPLDJ-UHFFFAOYSA-N Synonym: 4-amino-3-nitropyridine,4-pyridinamine, 3-nitro,3-nitro-4-pyridinamine,3-nitro-4-aminopyridine,3-nitro-pyridin-4-ylamine,3-nitro-4-pyridylamine,pubchem1277,acmc-209dxo,3-nitro-4-amino pyridine,3-nitro-4-pyridinamine # PubChem CID: 548803 IUPAC Name: 3-nitropyridin-4-amine SMILES: C1=CN=CC(=C1N)[N+](=O)[O-]
| PubChem CID | 548803 |
|---|---|
| CAS | 1681-37-4 |
| Molecular Weight (g/mol) | 139.114 |
| MDL Number | MFCD00160304 |
| SMILES | C1=CN=CC(=C1N)[N+](=O)[O-] |
| Synonym | 4-amino-3-nitropyridine,4-pyridinamine, 3-nitro,3-nitro-4-pyridinamine,3-nitro-4-aminopyridine,3-nitro-pyridin-4-ylamine,3-nitro-4-pyridylamine,pubchem1277,acmc-209dxo,3-nitro-4-amino pyridine,3-nitro-4-pyridinamine # |
| IUPAC Name | 3-nitropyridin-4-amine |
| InChI Key | IUPPEELMBOPLDJ-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |