Organoheterocyclic compounds
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6-Methylquinoline, 98%, Thermo Scientific Chemicals
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
| PubChem CID | 7059 |
|---|---|
| CAS | 91-62-3 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00006804 |
| SMILES | CC1=CC=C2N=CC=CC2=C1 |
| Synonym | quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 |
| IUPAC Name | 6-methylquinoline |
| InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
3,5-Lutidine, 98+%
CAS: 591-22-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00006404 InChI Key: HWWYDZCSSYKIAD-UHFFFAOYSA-N Synonym: 3,5-lutidine,pyridine, 3,5-dimethyl,unii-6q4ypz045v,3,5-dimethyl pyridine,3,5 lutidine,3,5-lutdcine,3,5-dimethylpyridin,3,5-dimethyl-pyridine,acmc-1axev,dsstox_cid_30825 PubChem CID: 11565 IUPAC Name: 3,5-dimethylpyridine SMILES: CC1=CC(=CN=C1)C
| PubChem CID | 11565 |
|---|---|
| CAS | 591-22-0 |
| Molecular Weight (g/mol) | 107.15 |
| MDL Number | MFCD00006404 |
| SMILES | CC1=CC(=CN=C1)C |
| Synonym | 3,5-lutidine,pyridine, 3,5-dimethyl,unii-6q4ypz045v,3,5-dimethyl pyridine,3,5 lutidine,3,5-lutdcine,3,5-dimethylpyridin,3,5-dimethyl-pyridine,acmc-1axev,dsstox_cid_30825 |
| IUPAC Name | 3,5-dimethylpyridine |
| InChI Key | HWWYDZCSSYKIAD-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
3,4,5,6-Tetrahydrophthalic anhydride, 98%
CAS: 2426-02-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005917 InChI Key: HMMBJOWWRLZEMI-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione PubChem CID: 12475 SMILES: O=C1OC(=O)C2=C1CCCC2
| PubChem CID | 12475 |
|---|---|
| CAS | 2426-02-0 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00005917 |
| SMILES | O=C1OC(=O)C2=C1CCCC2 |
| Synonym | 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione |
| InChI Key | HMMBJOWWRLZEMI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Methyl picolinate, 98%
CAS: 7-6-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 InChI Key: NMMIHXMBOZYNET-UHFFFAOYSA-N SMILES: COC(=O)C1=CC=CC=N1
| CAS | 7-6-2459 |
|---|---|
| Molecular Weight (g/mol) | 137.14 |
| SMILES | COC(=O)C1=CC=CC=N1 |
| InChI Key | NMMIHXMBOZYNET-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-(2-Pyridyl)benzimidazole, 99%
CAS: 1137-68-4 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.23 MDL Number: MFCD00005586 InChI Key: YNFBMDWHEHETJW-UHFFFAOYSA-N Synonym: 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole PubChem CID: 70821 IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC=N1
| PubChem CID | 70821 |
|---|---|
| CAS | 1137-68-4 |
| Molecular Weight (g/mol) | 195.23 |
| MDL Number | MFCD00005586 |
| SMILES | N1C2=CC=CC=C2N=C1C1=CC=CC=N1 |
| Synonym | 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole |
| IUPAC Name | 2-pyridin-2-yl-1H-benzimidazole |
| InChI Key | YNFBMDWHEHETJW-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3 |
(R)-Styrene oxide, 95%, 95% ee
CAS: 20780-53-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00066210 InChI Key: AWMVMTVKBNGEAK-QMMMGPOBSA-N Synonym: r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r PubChem CID: 114705 ChEBI: CHEBI:45389 IUPAC Name: (2R)-2-phenyloxirane SMILES: C1O[C@@H]1C1=CC=CC=C1
| PubChem CID | 114705 |
|---|---|
| CAS | 20780-53-4 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:45389 |
| MDL Number | MFCD00066210 |
| SMILES | C1O[C@@H]1C1=CC=CC=C1 |
| Synonym | r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r |
| IUPAC Name | (2R)-2-phenyloxirane |
| InChI Key | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
| Molecular Formula | C8H8O |
delta-Valerolactam, 99%
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 |
Urocanic acid, 98%
CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O
| PubChem CID | 1549103 |
|---|---|
| CAS | 104-98-3 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:30818 |
| MDL Number | MFCD00005203 |
| SMILES | C1=C(NC=N1)C=CC(=O)O |
| Synonym | urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid |
| IUPAC Name | (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
| InChI Key | LOIYMIARKYCTBW-UPHRSURJSA-N |
| Molecular Formula | C6H6N2O2 |
6-Aminoquinoline, 98%
CAS: 580-15-4 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 InChI Key: RJSRSRITMWVIQT-UHFFFAOYSA-N Synonym: 6-aminoquinoline,6-quinolinamine,quinoline, 6-amino,quinolin-6-ylamine,6-quinolylamine,ccris 1681,6 aminoquinoline,3kqp,6-amino quinoline,quinoline-6-amine PubChem CID: 11373 IUPAC Name: quinolin-6-amine SMILES: C1=CC2=C(C=CC(=C2)N)N=C1
| PubChem CID | 11373 |
|---|---|
| CAS | 580-15-4 |
| Molecular Weight (g/mol) | 144.18 |
| SMILES | C1=CC2=C(C=CC(=C2)N)N=C1 |
| Synonym | 6-aminoquinoline,6-quinolinamine,quinoline, 6-amino,quinolin-6-ylamine,6-quinolylamine,ccris 1681,6 aminoquinoline,3kqp,6-amino quinoline,quinoline-6-amine |
| IUPAC Name | quinolin-6-amine |
| InChI Key | RJSRSRITMWVIQT-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
Caffeine, 99.7%
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-trimethylpurine-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-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
1,3-Dimethyl-2-imidazolidinone, Honeywell Riedel-de Haën™
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 |
2-(1-Piperazinyl)pyrimidine, 98+%
CAS: 20980-22-7 Molecular Formula: C8H12N4 Molecular Weight (g/mol): 164.21 MDL Number: MFCD00040742 InChI Key: MRBFGEHILMYPTF-UHFFFAOYSA-N Synonym: 2-1-piperazinyl pyrimidine,1-2-pyrimidyl piperazine,2-piperazin-1-yl pyrimidine,1-2-pyrimidinyl piperazine,2-piperazinopyrimidine,campiron,pyrimidine, 2-1-piperazinyl,campirone,kampirone,2-piperazin-1-yl-pyrimidine PubChem CID: 88747 IUPAC Name: 2-piperazin-1-ylpyrimidine SMILES: C1CN(CCN1)C2=NC=CC=N2
| PubChem CID | 88747 |
|---|---|
| CAS | 20980-22-7 |
| Molecular Weight (g/mol) | 164.21 |
| MDL Number | MFCD00040742 |
| SMILES | C1CN(CCN1)C2=NC=CC=N2 |
| Synonym | 2-1-piperazinyl pyrimidine,1-2-pyrimidyl piperazine,2-piperazin-1-yl pyrimidine,1-2-pyrimidinyl piperazine,2-piperazinopyrimidine,campiron,pyrimidine, 2-1-piperazinyl,campirone,kampirone,2-piperazin-1-yl-pyrimidine |
| IUPAC Name | 2-piperazin-1-ylpyrimidine |
| InChI Key | MRBFGEHILMYPTF-UHFFFAOYSA-N |
| Molecular Formula | C8H12N4 |
2,3-Diamino-5-bromopyridine, 97%
CAS: 38875-53-5 Molecular Formula: C5H7BrN3 Molecular Weight (g/mol): 189.04 MDL Number: MFCD00460094 InChI Key: YRGMYJUKFJPNPD-UHFFFAOYSA-O Synonym: 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine PubChem CID: 691156 IUPAC Name: 5-bromopyridine-2,3-diamine SMILES: NC1=CC(Br)=C[NH+]=C1N
| PubChem CID | 691156 |
|---|---|
| CAS | 38875-53-5 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00460094 |
| SMILES | NC1=CC(Br)=C[NH+]=C1N |
| Synonym | 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine |
| IUPAC Name | 5-bromopyridine-2,3-diamine |
| InChI Key | YRGMYJUKFJPNPD-UHFFFAOYSA-O |
| Molecular Formula | C5H7BrN3 |
1,2-Dimethylimidazole, 96+%
CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C
| PubChem CID | 15617 |
|---|---|
| CAS | 1739-84-0 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005294 |
| SMILES | CN1C=CN=C1C |
| Synonym | 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole |
| IUPAC Name | 1,2-dimethylimidazole |
| InChI Key | GIWQSPITLQVMSG-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
Iminodibenzyl, 97%
CAS: 494-19-9 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00005070 InChI Key: ZSMRRZONCYIFNB-UHFFFAOYSA-N Synonym: iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine PubChem CID: 10308 IUPAC Name: 6,11-dihydro-5H-benzo[b][1]benzazepine SMILES: C1CC2=CC=CC=C2NC2=CC=CC=C12
| PubChem CID | 10308 |
|---|---|
| CAS | 494-19-9 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00005070 |
| SMILES | C1CC2=CC=CC=C2NC2=CC=CC=C12 |
| Synonym | iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine |
| IUPAC Name | 6,11-dihydro-5H-benzo[b][1]benzazepine |
| InChI Key | ZSMRRZONCYIFNB-UHFFFAOYSA-N |
| Molecular Formula | C14H13N |