Organoheterocyclic compounds
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1,3-Dimethyl-2-imidazolidinone, 98%
CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O
| PubChem CID | 6661 |
|---|---|
| CAS | 80-73-9 |
| Molecular Weight (g/mol) | 114.15 |
| MDL Number | MFCD00003188 |
| SMILES | CN1CCN(C)C1=O |
| Synonym | 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea |
| IUPAC Name | 1,3-dimethylimidazolidin-2-one |
| InChI Key | CYSGHNMQYZDMIA-UHFFFAOYSA-N |
| Molecular Formula | C5H10N2O |
Caffeine, citrated
CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 6241 |
|---|---|
| CAS | 69-22-7 |
| Molecular Weight (g/mol) | 386.32 |
| MDL Number | MFCD00044986 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
| Molecular Formula | C14H18N4O9 |
5-Aminopyridine-2-carboxylic acid, 98%, Thermo Scientific™
CAS: 24242-20-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 InChI Key: WDJARUKOMOGTHA-UHFFFAOYSA-N Synonym: 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n PubChem CID: 4179726 IUPAC Name: 5-aminopyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1N)C(=O)O
| PubChem CID | 4179726 |
|---|---|
| CAS | 24242-20-4 |
| Molecular Weight (g/mol) | 138.13 |
| SMILES | C1=CC(=NC=C1N)C(=O)O |
| Synonym | 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n |
| IUPAC Name | 5-aminopyridine-2-carboxylic acid |
| InChI Key | WDJARUKOMOGTHA-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
6-Aminonicotinic acid, 98%
CAS: 3167-49-5 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00006326 InChI Key: ZCIFWRHIEBXBOY-UHFFFAOYSA-N Synonym: 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid PubChem CID: 18496 ChEBI: CHEBI:68583 IUPAC Name: 6-aminopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)N
| PubChem CID | 18496 |
|---|---|
| CAS | 3167-49-5 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:68583 |
| MDL Number | MFCD00006326 |
| SMILES | C1=CC(=NC=C1C(=O)O)N |
| Synonym | 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid |
| IUPAC Name | 6-aminopyridine-3-carboxylic acid |
| InChI Key | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
1,5-Diazabicyclo[4.3.0]non-5-ene, 98%
CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1
| PubChem CID | 76349 |
|---|---|
| CAS | 3001-72-7 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00005554 |
| SMILES | C1CN2CCCN=C2C1 |
| Synonym | 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene |
| IUPAC Name | 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine |
| InChI Key | SGUVLZREKBPKCE-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
5-Nitro-2-furoic acid, 98+%
CAS: 645-12-5 Molecular Formula: C5H3NO5 Molecular Weight (g/mol): 157.081 MDL Number: MFCD00003240 InChI Key: IODMEDPPCXSFLD-UHFFFAOYSA-N Synonym: 5-nitro-2-furoic acid,nitrofurate,5-nitrofuroic acid,2-furoic acid, 5-nitro,5-nitro-2-furancarboxylic acid,5-nitropyromucate,5-nitrofurancarboxylic acid,2-furancarboxylic acid, 5-nitro,ccris 1197,5-nitropyromucic acid PubChem CID: 12577 IUPAC Name: 5-nitrofuran-2-carboxylic acid SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 12577 |
|---|---|
| CAS | 645-12-5 |
| Molecular Weight (g/mol) | 157.081 |
| MDL Number | MFCD00003240 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-nitro-2-furoic acid,nitrofurate,5-nitrofuroic acid,2-furoic acid, 5-nitro,5-nitro-2-furancarboxylic acid,5-nitropyromucate,5-nitrofurancarboxylic acid,2-furancarboxylic acid, 5-nitro,ccris 1197,5-nitropyromucic acid |
| IUPAC Name | 5-nitrofuran-2-carboxylic acid |
| InChI Key | IODMEDPPCXSFLD-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO5 |
2-Hydrazinoquinoline, 97%
CAS: 15793-77-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.19 MDL Number: MFCD00041860 InChI Key: QMVCLSHKMIGEFN-UHFFFAOYSA-N PubChem CID: 85111 IUPAC Name: quinolin-2-ylhydrazine SMILES: NNC1=CC=C2C=CC=CC2=N1
| PubChem CID | 85111 |
|---|---|
| CAS | 15793-77-8 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00041860 |
| SMILES | NNC1=CC=C2C=CC=CC2=N1 |
| IUPAC Name | quinolin-2-ylhydrazine |
| InChI Key | QMVCLSHKMIGEFN-UHFFFAOYSA-N |
| Molecular Formula | C9H9N3 |
6-Methylpyridine-2-carboxylic acid, 95%
CAS: 934-60-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00023481 InChI Key: LTUUGSGSUZRPRV-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinecarboxylic acid,6-methylpicolinic acid,6-methyl-2-picolinic acid,2-carboxy-6-methylpyridine,6-methyl-2-picolinicacid,2-pyridinecarboxylic acid, 6-methyl,2-picoline-6-carboxylic acid,picolinic acid, 6-methyl,6-methyl picolinic acid,unii-kb675y352l PubChem CID: 70282 IUPAC Name: 6-methylpyridine-2-carboxylic acid SMILES: CC1=CC=CC(=N1)C(O)=O
| PubChem CID | 70282 |
|---|---|
| CAS | 934-60-1 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00023481 |
| SMILES | CC1=CC=CC(=N1)C(O)=O |
| Synonym | 6-methyl-2-pyridinecarboxylic acid,6-methylpicolinic acid,6-methyl-2-picolinic acid,2-carboxy-6-methylpyridine,6-methyl-2-picolinicacid,2-pyridinecarboxylic acid, 6-methyl,2-picoline-6-carboxylic acid,picolinic acid, 6-methyl,6-methyl picolinic acid,unii-kb675y352l |
| IUPAC Name | 6-methylpyridine-2-carboxylic acid |
| InChI Key | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3-Picoline, 99%
CAS: 108-99-6 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.13 MDL Number: MFCD00006402 InChI Key: ITQTTZVARXURQS-UHFFFAOYSA-N Synonym: 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine PubChem CID: 7970 ChEBI: CHEBI:39922 IUPAC Name: 3-methylpyridine SMILES: CC1=CN=CC=C1
| PubChem CID | 7970 |
|---|---|
| CAS | 108-99-6 |
| Molecular Weight (g/mol) | 93.13 |
| ChEBI | CHEBI:39922 |
| MDL Number | MFCD00006402 |
| SMILES | CC1=CN=CC=C1 |
| Synonym | 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine |
| IUPAC Name | 3-methylpyridine |
| InChI Key | ITQTTZVARXURQS-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |
N-Acetylcaprolactam, 99%
CAS: 1888-91-1 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.20 MDL Number: MFCD00003262 InChI Key: QISSLHPKTCLLDL-UHFFFAOYSA-N Synonym: n-acetylcaprolactam,acetylcaprolactam,n-acetyl-6-caprolactam,2h-azepin-2-one, 1-acetylhexahydro,acetylkaprolaktam,n-acetylhexanelactam,acetylkaprolaktam czech,1-acetylhexahydro-2h-azepin-2-one,n-acetyl-epsilon-caprolactam,n-acetyl-.epsilon.-caprolactam PubChem CID: 15904 IUPAC Name: 1-acetylazepan-2-one SMILES: CC(=O)N1CCCCCC1=O
| PubChem CID | 15904 |
|---|---|
| CAS | 1888-91-1 |
| Molecular Weight (g/mol) | 155.20 |
| MDL Number | MFCD00003262 |
| SMILES | CC(=O)N1CCCCCC1=O |
| Synonym | n-acetylcaprolactam,acetylcaprolactam,n-acetyl-6-caprolactam,2h-azepin-2-one, 1-acetylhexahydro,acetylkaprolaktam,n-acetylhexanelactam,acetylkaprolaktam czech,1-acetylhexahydro-2h-azepin-2-one,n-acetyl-epsilon-caprolactam,n-acetyl-.epsilon.-caprolactam |
| IUPAC Name | 1-acetylazepan-2-one |
| InChI Key | QISSLHPKTCLLDL-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO2 |
Nicotine 95.0+%, TCI America™
CAS: 54-11-5 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 MDL Number: MFCD00006369 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine SMILES: CN1CCCC1C2=CN=CC=C2
| PubChem CID | 89594 |
|---|---|
| CAS | 54-11-5 |
| Molecular Weight (g/mol) | 162.236 |
| ChEBI | CHEBI:17688 |
| MDL Number | MFCD00006369 |
| SMILES | CN1CCCC1C2=CN=CC=C2 |
| Synonym | nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq |
| IUPAC Name | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| InChI Key | SNICXCGAKADSCV-JTQLQIEISA-N |
| Molecular Formula | C10H14N2 |
Cyclohexene oxide, 98+%
CAS: 286-20-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00005162 InChI Key: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Synonym: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 IUPAC Name: 7-oxabicyclo[4.1.0]heptane SMILES: C1CCC2C(C1)O2
| PubChem CID | 9246 |
|---|---|
| CAS | 286-20-4 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00005162 |
| SMILES | C1CCC2C(C1)O2 |
| Synonym | cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide |
| IUPAC Name | 7-oxabicyclo[4.1.0]heptane |
| InChI Key | ZWAJLVLEBYIOTI-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
Cobalt(II) phthalocyanine
CAS: 3317-67-7 Molecular Formula: C32H16CoN8 Molecular Weight (g/mol): 571.469 MDL Number: MFCD00010718 InChI Key: MPMSMUBQXQALQI-UHFFFAOYSA-N Synonym: cobalt ii phthalocyanine,cobalt phthalocyanine,phthalocyanine cobalt ii,phthalocyanine, cobalt,cobalt ii phthalocyanine, beta-form, dye content 97 % PubChem CID: 2734991 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Co+2]
| PubChem CID | 2734991 |
|---|---|
| CAS | 3317-67-7 |
| Molecular Weight (g/mol) | 571.469 |
| MDL Number | MFCD00010718 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Co+2] |
| Synonym | cobalt ii phthalocyanine,cobalt phthalocyanine,phthalocyanine cobalt ii,phthalocyanine, cobalt,cobalt ii phthalocyanine, beta-form, dye content 97 % |
| InChI Key | MPMSMUBQXQALQI-UHFFFAOYSA-N |
| Molecular Formula | C32H16CoN8 |
4-Chloropyridine-2-carboxylic acid, 94%
CAS: 5470-22-4 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00191400 InChI Key: NNMYRMGMVLMQAY-UHFFFAOYSA-N Synonym: 4-chloropicolinic acid,4-chloro-pyridine-2-carboxylic acid,4-chloro-2-pyridinecarboxylic acid,4-chloro-2-picolinic acid,2-pyridinecarboxylic acid, 4-chloro,4-chloro picolinic acid,2-carboxy-4-chloropyridine,chloropicolinicacid,pubchem12731,acmc-1bn7z PubChem CID: 230890 IUPAC Name: 4-chloropyridine-2-carboxylic acid SMILES: C1=CN=C(C=C1Cl)C(=O)O
| PubChem CID | 230890 |
|---|---|
| CAS | 5470-22-4 |
| Molecular Weight (g/mol) | 157.553 |
| MDL Number | MFCD00191400 |
| SMILES | C1=CN=C(C=C1Cl)C(=O)O |
| Synonym | 4-chloropicolinic acid,4-chloro-pyridine-2-carboxylic acid,4-chloro-2-pyridinecarboxylic acid,4-chloro-2-picolinic acid,2-pyridinecarboxylic acid, 4-chloro,4-chloro picolinic acid,2-carboxy-4-chloropyridine,chloropicolinicacid,pubchem12731,acmc-1bn7z |
| IUPAC Name | 4-chloropyridine-2-carboxylic acid |
| InChI Key | NNMYRMGMVLMQAY-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
4-Hydroxypyridine-2-carboxylic acid, 97%
CAS: 22468-26-4 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00521155,MFCD11656334 InChI Key: MXXLHBCSVDDTIX-UHFFFAOYSA-N Synonym: 4-hydroxypicolinic acid,4-hydroxypyridine-2-carboxylic acid,4-hydroxy-2-pyridinecarboxylic acid,4-oxo-1,4-dihydropyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 4-hydroxy,4-hydroxypyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 1,4-dihydro-4-oxo,4-hydroxy-picolinsaure,pubchem17131,acmc-209fwn PubChem CID: 735149 IUPAC Name: 4-oxo-1H-pyridine-2-carboxylic acid SMILES: OC(=O)C1=CC(=O)C=CN1
| PubChem CID | 735149 |
|---|---|
| CAS | 22468-26-4 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00521155,MFCD11656334 |
| SMILES | OC(=O)C1=CC(=O)C=CN1 |
| Synonym | 4-hydroxypicolinic acid,4-hydroxypyridine-2-carboxylic acid,4-hydroxy-2-pyridinecarboxylic acid,4-oxo-1,4-dihydropyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 4-hydroxy,4-hydroxypyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 1,4-dihydro-4-oxo,4-hydroxy-picolinsaure,pubchem17131,acmc-209fwn |
| IUPAC Name | 4-oxo-1H-pyridine-2-carboxylic acid |
| InChI Key | MXXLHBCSVDDTIX-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |