Organoheterocyclic compounds
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1-Ethyl-3-methylimidazolium Acetate 95.0+%, TCI America™
CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
| PubChem CID | 11658353 |
|---|---|
| CAS | 143314-17-4 |
| Molecular Weight (g/mol) | 170.212 |
| MDL Number | MFCD06798186 |
| SMILES | CCN1C=C[N+](=C1)C.CC(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;acetate |
| InChI Key | XIYUIMLQTKODPS-UHFFFAOYSA-M |
| Molecular Formula | C8H14N2O2 |
Adenine Sulfate Dihydrate 98.0+%, TCI America™
CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 44134512 |
|---|---|
| CAS | 6509-19-9 |
| Molecular Weight (g/mol) | 404.36 |
| MDL Number | MFCD00150149 |
| SMILES | O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 |
| IUPAC Name | bis(7H-purin-6-amine) sulfuric acid dihydrate |
| InChI Key | MKPCNMXYTMQZBE-UHFFFAOYSA-N |
| Molecular Formula | C10H16N10O6S |
2-Piperidone 98.0+%, TCI America™
CAS: 675-20-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00006037 InChI Key: XUWHAWMETYGRKB-UHFFFAOYSA-N Synonym: 2-piperidone,2-piperidinone,delta-valerolactam,valerolactim,5-pentanolactam,piperidinone,piperidon,piperidone,alpha-piperidone,piperidone-2 PubChem CID: 12665 ChEBI: CHEBI:77761 IUPAC Name: piperidin-2-one SMILES: O=C1CCCCN1
| PubChem CID | 12665 |
|---|---|
| CAS | 675-20-7 |
| Molecular Weight (g/mol) | 99.13 |
| ChEBI | CHEBI:77761 |
| MDL Number | MFCD00006037 |
| SMILES | O=C1CCCCN1 |
| Synonym | 2-piperidone,2-piperidinone,delta-valerolactam,valerolactim,5-pentanolactam,piperidinone,piperidon,piperidone,alpha-piperidone,piperidone-2 |
| IUPAC Name | piperidin-2-one |
| InChI Key | XUWHAWMETYGRKB-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
Isradipine 98.0+%, TCI America™
CAS: 75695-93-1 Molecular Formula: C19H21N3O5 Molecular Weight (g/mol): 371.39 MDL Number: MFCD00153820 InChI Key: HMJIYCCIJYRONP-UHFFFAOYNA-N Synonym: isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine PubChem CID: 3784 IUPAC Name: 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
| PubChem CID | 3784 |
|---|---|
| CAS | 75695-93-1 |
| Molecular Weight (g/mol) | 371.39 |
| MDL Number | MFCD00153820 |
| SMILES | COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C |
| Synonym | isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine |
| IUPAC Name | 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| InChI Key | HMJIYCCIJYRONP-UHFFFAOYNA-N |
| Molecular Formula | C19H21N3O5 |
Lovastatin 98.0+%, TCI America™
CAS: 75330-75-5 Molecular Formula: C24H36O5 Molecular Weight (g/mol): 404.55 MDL Number: MFCD00072164 InChI Key: PCZOHLXUXFIOCF-BXMDZJJMSA-N Synonym: lovastatin,mevinolin,mevacor,monacolin k,lovalip,altoprev,lovalord,mevinacor,nergadan,6alpha-methylcompactin PubChem CID: 53232 ChEBI: CHEBI:40303 IUPAC Name: (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
| PubChem CID | 53232 |
|---|---|
| CAS | 75330-75-5 |
| Molecular Weight (g/mol) | 404.55 |
| ChEBI | CHEBI:40303 |
| MDL Number | MFCD00072164 |
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |
| Synonym | lovastatin,mevinolin,mevacor,monacolin k,lovalip,altoprev,lovalord,mevinacor,nergadan,6alpha-methylcompactin |
| IUPAC Name | (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
| InChI Key | PCZOHLXUXFIOCF-BXMDZJJMSA-N |
| Molecular Formula | C24H36O5 |
5-Ethyl-2-methylpyridine 95.0+%, TCI America™
CAS: 104-90-5 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00006344 InChI Key: NTSLROIKFLNUIJ-UHFFFAOYSA-N Synonym: aldehydine,5-ethyl-2-picoline,2-methyl-5-ethylpyridine,aldehydkollidin,aldehydecollidine,pyridine, 5-ethyl-2-methyl,2,5-aldehydine,2-picoline, 5-ethyl,3-ethyl-6-methylpyridine,6-methyl-3-ethylpyridine PubChem CID: 7728 IUPAC Name: 5-ethyl-2-methylpyridine SMILES: CCC1=CC=C(C)N=C1
| PubChem CID | 7728 |
|---|---|
| CAS | 104-90-5 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00006344 |
| SMILES | CCC1=CC=C(C)N=C1 |
| Synonym | aldehydine,5-ethyl-2-picoline,2-methyl-5-ethylpyridine,aldehydkollidin,aldehydecollidine,pyridine, 5-ethyl-2-methyl,2,5-aldehydine,2-picoline, 5-ethyl,3-ethyl-6-methylpyridine,6-methyl-3-ethylpyridine |
| IUPAC Name | 5-ethyl-2-methylpyridine |
| InChI Key | NTSLROIKFLNUIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
Biotin 98.0+%, TCI America™
CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
| PubChem CID | 171548 |
|---|---|
| CAS | 58-85-5 |
| Molecular Weight (g/mol) | 244.31 |
| ChEBI | CHEBI:15956 |
| MDL Number | MFCD00005541 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| Synonym | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
| IUPAC Name | 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
| InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
| Molecular Formula | C10H16N2O3S |
1-Butyl-3-methylimidazolium Chloride 98.0+%, TCI America™
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CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734161 |
|---|---|
| CAS | 79917-90-1 |
| Molecular Weight (g/mol) | 174.67 |
| MDL Number | MFCD03095425 |
| SMILES | [Cl-].CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium chloride |
| InChI Key | FHDQNOXQSTVAIC-UHFFFAOYSA-M |
| Molecular Formula | C8H15ClN2 |
Isoquinoline 95.0+%, TCI America™
CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1
| PubChem CID | 8405 |
|---|---|
| CAS | 119-65-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:16092 |
| MDL Number | MFCD00006898,MFCD31699977 |
| SMILES | C1=CC=C2C=NC=CC2=C1 |
| Synonym | 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech |
| IUPAC Name | isoquinoline |
| InChI Key | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
Quinuclidine 96.0+%, TCI America™
CAS: 100-76-5 Molecular Formula: C7H13N Molecular Weight (g/mol): 111.188 MDL Number: MFCD00006690 InChI Key: SBYHFKPVCBCYGV-UHFFFAOYSA-N Synonym: quinuclidine,1-azabicyclo 2.2.2 octane,1,4-ethanopiperidine,1,4-ethylenepiperidine,chinuclidin,abco,unii-xfx99fc5vi,4-azabicyclo 2.2.2 octane,xfx99fc5vi PubChem CID: 7527 ChEBI: CHEBI:38420 IUPAC Name: 1-azabicyclo[2.2.2]octane SMILES: C1CN2CCC1CC2
| PubChem CID | 7527 |
|---|---|
| CAS | 100-76-5 |
| Molecular Weight (g/mol) | 111.188 |
| ChEBI | CHEBI:38420 |
| MDL Number | MFCD00006690 |
| SMILES | C1CN2CCC1CC2 |
| Synonym | quinuclidine,1-azabicyclo 2.2.2 octane,1,4-ethanopiperidine,1,4-ethylenepiperidine,chinuclidin,abco,unii-xfx99fc5vi,4-azabicyclo 2.2.2 octane,xfx99fc5vi |
| IUPAC Name | 1-azabicyclo[2.2.2]octane |
| InChI Key | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
| Molecular Formula | C7H13N |
1,3,5-Triazine 98.0+%, TCI America™
CAS: 290-87-9 Molecular Formula: C3H3N3 Molecular Weight (g/mol): 81.08 MDL Number: MFCD00006044 InChI Key: JIHQDMXYYFUGFV-UHFFFAOYSA-N Synonym: s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t PubChem CID: 9262 ChEBI: CHEBI:30259 IUPAC Name: 1,3,5-triazine SMILES: C1=NC=NC=N1
| PubChem CID | 9262 |
|---|---|
| CAS | 290-87-9 |
| Molecular Weight (g/mol) | 81.08 |
| ChEBI | CHEBI:30259 |
| MDL Number | MFCD00006044 |
| SMILES | C1=NC=NC=N1 |
| Synonym | s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t |
| IUPAC Name | 1,3,5-triazine |
| InChI Key | JIHQDMXYYFUGFV-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3 |
Theobromine 98.0+%, TCI America™
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
| PubChem CID | 5429 |
|---|---|
| CAS | 83-67-0 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28946 |
| MDL Number | MFCD00022830 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Synonym | theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Polyvinylpyrrolidone K 30 Average Molecular Wt. 40,000, TCI America™
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 40000 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 9003-39-8 |
| Molecular Weight (g/mol) | 40000 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
Polyvinylpyrrolidone K 15 Average Molecular Wt. 10,000, TCI America™
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 9003-39-8 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
Pyrrole 99.0+%, TCI America™
CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1
| PubChem CID | 8027 |
|---|---|
| CAS | 109-97-7 |
| Molecular Weight (g/mol) | 67.09 |
| ChEBI | CHEBI:19203 |
| MDL Number | MFCD00005216 |
| SMILES | N1C=CC=C1 |
| Synonym | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
| IUPAC Name | 1H-pyrrole |
| InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
| Molecular Formula | C4H5N |