Organoheterocyclic compounds
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Butyl Glycidyl Ether 98.0+%, TCI America™
CAS: 2426-08-6 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00005145 InChI Key: YSUQLAYJZDEMOT-UHFFFAOYNA-N Synonym: butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether PubChem CID: 17049 IUPAC Name: 2-(butoxymethyl)oxirane SMILES: CCCCOCC1CO1
| PubChem CID | 17049 |
|---|---|
| CAS | 2426-08-6 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00005145 |
| SMILES | CCCCOCC1CO1 |
| Synonym | butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether |
| IUPAC Name | 2-(butoxymethyl)oxirane |
| InChI Key | YSUQLAYJZDEMOT-UHFFFAOYNA-N |
| Molecular Formula | C7H14O2 |
1,2-Dimethylbenzimidazole 98.0+%, TCI America™
CAS: 2876-08-6 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00022840 InChI Key: PJQIBTFOXWGAEN-UHFFFAOYSA-N PubChem CID: 312693 IUPAC Name: 1,2-dimethylbenzimidazole SMILES: CC1=NC2=CC=CC=C2N1C
| PubChem CID | 312693 |
|---|---|
| CAS | 2876-08-6 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00022840 |
| SMILES | CC1=NC2=CC=CC=C2N1C |
| IUPAC Name | 1,2-dimethylbenzimidazole |
| InChI Key | PJQIBTFOXWGAEN-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2 |
Caffeine 98.0+%, TCI America™
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
2-Bromo-6-iodopyridine 98.0+%, TCI America™
CAS: 234111-08-1 Molecular Formula: C5H3BrIN Molecular Weight (g/mol): 283.89 MDL Number: MFCD08059557 InChI Key: KJOQMWRTNVBXEV-UHFFFAOYSA-N Synonym: pyridine, 2-bromo-6-iodo,2-bromo-6-iodo-pyridine,6-bromo-2-iodopyridine,pyridine,2-bromo-6-iodo PubChem CID: 11312130 IUPAC Name: 2-bromo-6-iodopyridine SMILES: BrC1=NC(I)=CC=C1
| PubChem CID | 11312130 |
|---|---|
| CAS | 234111-08-1 |
| Molecular Weight (g/mol) | 283.89 |
| MDL Number | MFCD08059557 |
| SMILES | BrC1=NC(I)=CC=C1 |
| Synonym | pyridine, 2-bromo-6-iodo,2-bromo-6-iodo-pyridine,6-bromo-2-iodopyridine,pyridine,2-bromo-6-iodo |
| IUPAC Name | 2-bromo-6-iodopyridine |
| InChI Key | KJOQMWRTNVBXEV-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrIN |
4-Amino-1-isopropylpiperidine 98.0+%, TCI America™
CAS: 127285-08-9 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.25 MDL Number: MFCD03411606 InChI Key: ZRQQXFMGYSOKDF-UHFFFAOYSA-N PubChem CID: 3163333 IUPAC Name: 1-(propan-2-yl)piperidin-4-amine SMILES: CC(C)N1CCC(N)CC1
| PubChem CID | 3163333 |
|---|---|
| CAS | 127285-08-9 |
| Molecular Weight (g/mol) | 142.25 |
| MDL Number | MFCD03411606 |
| SMILES | CC(C)N1CCC(N)CC1 |
| IUPAC Name | 1-(propan-2-yl)piperidin-4-amine |
| InChI Key | ZRQQXFMGYSOKDF-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
1-Butyl-3-methylimidazolium Tribromide 98.0+%, TCI America™
CAS: 820965-08-0 Molecular Formula: C8H15Br3N2 Molecular Weight (g/mol): 378.94 MDL Number: MFCD22199811 InChI Key: RHSQXXVEZYTZHB-UHFFFAOYSA-K PubChem CID: 91983981 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium tribromide SMILES: [Br-].[Br-].[Br-].CCCCN1C=C[N+](C)=C1
| PubChem CID | 91983981 |
|---|---|
| CAS | 820965-08-0 |
| Molecular Weight (g/mol) | 378.94 |
| MDL Number | MFCD22199811 |
| SMILES | [Br-].[Br-].[Br-].CCCCN1C=C[N+](C)=C1 |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium tribromide |
| InChI Key | RHSQXXVEZYTZHB-UHFFFAOYSA-K |
| Molecular Formula | C8H15Br3N2 |
1-Ethyl-3-methylimidazolium Bromide 98.0+%, TCI America™
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium bromide SMILES: [Br-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734235 |
|---|---|
| CAS | 65039-08-9 |
| Molecular Weight (g/mol) | 191.07 |
| MDL Number | MFCD03427610 |
| SMILES | [Br-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium bromide |
| InChI Key | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
| Molecular Formula | C6H11BrN2 |
1-Methyl-4-(methylamino)piperidine 97.0+%, TCI America™
CAS: 73579-08-5 Molecular Formula: C7H16N2 Molecular Weight (g/mol): 128.219 MDL Number: MFCD00006498 InChI Key: XRYGCVVVDCEPRL-UHFFFAOYSA-N PubChem CID: 566323 IUPAC Name: N,1-dimethylpiperidin-4-amine SMILES: CNC1CCN(CC1)C
| PubChem CID | 566323 |
|---|---|
| CAS | 73579-08-5 |
| Molecular Weight (g/mol) | 128.219 |
| MDL Number | MFCD00006498 |
| SMILES | CNC1CCN(CC1)C |
| IUPAC Name | N,1-dimethylpiperidin-4-amine |
| InChI Key | XRYGCVVVDCEPRL-UHFFFAOYSA-N |
| Molecular Formula | C7H16N2 |
2,4-Diamino-1,3,5-triazine 98.0+%, TCI America™
CAS: 504-08-5 Molecular Formula: C3H5N5 Molecular Weight (g/mol): 111.108 MDL Number: MFCD00014598 InChI Key: VZXTWGWHSMCWGA-UHFFFAOYSA-N PubChem CID: 10435 ChEBI: CHEBI:38071 IUPAC Name: 1,3,5-triazine-2,4-diamine SMILES: C1=NC(=NC(=N1)N)N
| PubChem CID | 10435 |
|---|---|
| CAS | 504-08-5 |
| Molecular Weight (g/mol) | 111.108 |
| ChEBI | CHEBI:38071 |
| MDL Number | MFCD00014598 |
| SMILES | C1=NC(=NC(=N1)N)N |
| IUPAC Name | 1,3,5-triazine-2,4-diamine |
| InChI Key | VZXTWGWHSMCWGA-UHFFFAOYSA-N |
| Molecular Formula | C3H5N5 |
1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
CAS: 350493-08-2 Molecular Formula: C11H17F6N3O4S2 Molecular Weight (g/mol): 433.384 InChI Key: UCCKRVYTJPMHRO-UHFFFAOYSA-N PubChem CID: 11212667 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium SMILES: CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 11212667 |
|---|---|
| CAS | 350493-08-2 |
| Molecular Weight (g/mol) | 433.384 |
| SMILES | CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium |
| InChI Key | UCCKRVYTJPMHRO-UHFFFAOYSA-N |
| Molecular Formula | C11H17F6N3O4S2 |
2-Hydroxymethyl-1-methylimidazole 98.0+%, TCI America™
CAS: 17334-08-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00964673 InChI Key: CDQDMLWGTVLQEE-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 PubChem CID: 573612 IUPAC Name: (1-methylimidazol-2-yl)methanol SMILES: CN1C=CN=C1CO
| PubChem CID | 573612 |
|---|---|
| CAS | 17334-08-6 |
| Molecular Weight (g/mol) | 112.132 |
| MDL Number | MFCD00964673 |
| SMILES | CN1C=CN=C1CO |
| Synonym | 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 |
| IUPAC Name | (1-methylimidazol-2-yl)methanol |
| InChI Key | CDQDMLWGTVLQEE-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O |
1,2,3,4,5,6,7,8-Octahydroacridine 97.0+%, TCI America™
CAS: 1658-08-8 Molecular Formula: C13H17N Molecular Weight (g/mol): 187.286 MDL Number: MFCD00005032 InChI Key: LLCXJIQXTXEQID-UHFFFAOYSA-N PubChem CID: 74263 IUPAC Name: 1,2,3,4,5,6,7,8-octahydroacridine SMILES: C1CCC2=NC3=C(CCCC3)C=C2C1
| PubChem CID | 74263 |
|---|---|
| CAS | 1658-08-8 |
| Molecular Weight (g/mol) | 187.286 |
| MDL Number | MFCD00005032 |
| SMILES | C1CCC2=NC3=C(CCCC3)C=C2C1 |
| IUPAC Name | 1,2,3,4,5,6,7,8-octahydroacridine |
| InChI Key | LLCXJIQXTXEQID-UHFFFAOYSA-N |
| Molecular Formula | C13H17N |
3-Amino-5-methylthio-1H-1,2,4-triazole 97.0+%, TCI America™
CAS: 45534-08-5 Molecular Formula: C3H6N4S Molecular Weight (g/mol): 130.17 MDL Number: MFCD00005232 InChI Key: XGWWZKBCQLBJNH-UHFFFAOYSA-N Synonym: 3-amino-5-methylthio-1h-1,2,4-triazole,1h-1,2,4-triazol-3-amine, 5-methylthio,5-methylthio-1h-1,2,4-triazol-3-amine,3-amino-5-methylthio-1,2,4-triazole,5-methylsulfanyl-4h-1,2,4-triazol-3-amine,3-methylthio-1h-1,2,4-triazol-5-amine,3-methylsulfanyl-1h-1,2,4-triazol-5-amine,5-methylsulfanyl-1h-1,2,4-triazol-3-amine,5-amino-3-methylthio-1h-1,2,4-triazole,5-methylthio-4h-1,2,4-triazol-3-amine PubChem CID: 78471 IUPAC Name: 3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine SMILES: CSC1=NNC(N)=N1
| PubChem CID | 78471 |
|---|---|
| CAS | 45534-08-5 |
| Molecular Weight (g/mol) | 130.17 |
| MDL Number | MFCD00005232 |
| SMILES | CSC1=NNC(N)=N1 |
| Synonym | 3-amino-5-methylthio-1h-1,2,4-triazole,1h-1,2,4-triazol-3-amine, 5-methylthio,5-methylthio-1h-1,2,4-triazol-3-amine,3-amino-5-methylthio-1,2,4-triazole,5-methylsulfanyl-4h-1,2,4-triazol-3-amine,3-methylthio-1h-1,2,4-triazol-5-amine,3-methylsulfanyl-1h-1,2,4-triazol-5-amine,5-methylsulfanyl-1h-1,2,4-triazol-3-amine,5-amino-3-methylthio-1h-1,2,4-triazole,5-methylthio-4h-1,2,4-triazol-3-amine |
| IUPAC Name | 3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine |
| InChI Key | XGWWZKBCQLBJNH-UHFFFAOYSA-N |
| Molecular Formula | C3H6N4S |
Nalidixic Acid 95.0+%, TCI America™
CAS: 389-08-2 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD00006884 InChI Key: MHWLWQUZZRMNGJ-UHFFFAOYSA-N Synonym: nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus PubChem CID: 4421 ChEBI: CHEBI:100147 IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
| PubChem CID | 4421 |
|---|---|
| CAS | 389-08-2 |
| Molecular Weight (g/mol) | 232.239 |
| ChEBI | CHEBI:100147 |
| MDL Number | MFCD00006884 |
| SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| Synonym | nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus |
| IUPAC Name | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChI Key | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole 98.0+%, TCI America™
CAS: 1192352-08-1 Molecular Formula: C22H34Br2N2O2S Molecular Weight (g/mol): 550.394 MDL Number: MFCD19940667 InChI Key: VGCVJZVDAAWTFC-UHFFFAOYSA-N PubChem CID: 67329181 IUPAC Name: 4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole SMILES: CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br
| PubChem CID | 67329181 |
|---|---|
| CAS | 1192352-08-1 |
| Molecular Weight (g/mol) | 550.394 |
| MDL Number | MFCD19940667 |
| SMILES | CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br |
| IUPAC Name | 4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole |
| InChI Key | VGCVJZVDAAWTFC-UHFFFAOYSA-N |
| Molecular Formula | C22H34Br2N2O2S |