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 |
(S)-(+)-5-Hydroxymethyl-2-pyrrolidinone, 97%
CAS: 17342-08-4 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00077792 InChI Key: HOBJEFOCIRXQKH-BYPYZUCNSA-N Synonym: l-pyroglutaminol,s-+-5-hydroxymethyl-2-pyrrolidinone,5s-5-hydroxymethyl pyrrolidin-2-one,s-5-hydroxymethyl pyrrolidin-2-one,s-5-hydroxymethyl-2-pyrrolidinone,2-pyrrolidinone, 5-hydroxymethyl-, 5s,s-pyroglutaminol,l-pyroglutamol,pubchem13847 PubChem CID: 643511 IUPAC Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one SMILES: C1CC(=O)NC1CO
| PubChem CID | 643511 |
|---|---|
| CAS | 17342-08-4 |
| Molecular Weight (g/mol) | 115.13 |
| MDL Number | MFCD00077792 |
| SMILES | C1CC(=O)NC1CO |
| Synonym | l-pyroglutaminol,s-+-5-hydroxymethyl-2-pyrrolidinone,5s-5-hydroxymethyl pyrrolidin-2-one,s-5-hydroxymethyl pyrrolidin-2-one,s-5-hydroxymethyl-2-pyrrolidinone,2-pyrrolidinone, 5-hydroxymethyl-, 5s,s-pyroglutaminol,l-pyroglutamol,pubchem13847 |
| IUPAC Name | (5S)-5-(hydroxymethyl)pyrrolidin-2-one |
| InChI Key | HOBJEFOCIRXQKH-BYPYZUCNSA-N |
| Molecular Formula | C5H9NO2 |
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 |
4-Phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate, 98%
CAS: 83949-32-0 Molecular Formula: C12H15NO2·C7H8O3S Molecular Weight (g/mol): 377.45 MDL Number: MFCD00044709 InChI Key: NQLZTDKDXBKUGY-UHFFFAOYSA-N Synonym: 4-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid,4-carboxy-4-phenylpiperidine tosylate,4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid 1:1,4-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate,4-phenyl-4-piperidinecarboxylic acid 4-methylbenzenesulfonate,4-phenylpiperidine-4-carboxylic acid 4-toluenesulfonate,isonipecotic acid, 4-phenyl-; para-toluene sulfonate,4-phenyl-4-carboxy piperidine tosylate,4-carboxy-4-phenylpiperidine p-toluenesulfonate,4-phenyl-piperidine-4-carboxylic acid tosylate PubChem CID: 2723657 IUPAC Name: 4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 2723657 |
|---|---|
| CAS | 83949-32-0 |
| Molecular Weight (g/mol) | 377.45 |
| MDL Number | MFCD00044709 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 4-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid,4-carboxy-4-phenylpiperidine tosylate,4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid 1:1,4-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate,4-phenyl-4-piperidinecarboxylic acid 4-methylbenzenesulfonate,4-phenylpiperidine-4-carboxylic acid 4-toluenesulfonate,isonipecotic acid, 4-phenyl-; para-toluene sulfonate,4-phenyl-4-carboxy piperidine tosylate,4-carboxy-4-phenylpiperidine p-toluenesulfonate,4-phenyl-piperidine-4-carboxylic acid tosylate |
| IUPAC Name | 4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid |
| InChI Key | NQLZTDKDXBKUGY-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO2·C7H8O3S |
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 |
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-Furonitrile, 99%
CAS: 617-90-3 Molecular Formula: C5H3NO Molecular Weight (g/mol): 93.09 MDL Number: MFCD00003223 InChI Key: YXDXXGXWFJCXEB-UHFFFAOYSA-N Synonym: 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile PubChem CID: 69245 IUPAC Name: furan-2-carbonitrile SMILES: N#CC1=CC=CO1
| PubChem CID | 69245 |
|---|---|
| CAS | 617-90-3 |
| Molecular Weight (g/mol) | 93.09 |
| MDL Number | MFCD00003223 |
| SMILES | N#CC1=CC=CO1 |
| Synonym | 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile |
| IUPAC Name | furan-2-carbonitrile |
| InChI Key | YXDXXGXWFJCXEB-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO |
Tri-(2-furyl)phosphine, 98%
CAS: 5518-52-5 Molecular Formula: C12H9O3P Molecular Weight (g/mol): 232.18 MDL Number: MFCD00151857 InChI Key: DLQYXUGCCKQSRJ-UHFFFAOYSA-N Synonym: tri 2-furyl phosphine,tri furan-2-yl phosphine,tri-2-furyl phosphine,tris furan-2-yl phosphane,tri-2-furylphosphine,tris 2-furyl phosphine,tri furan-2-yl phosphane,trifurylphosphine,tri fur-2-yl phosphane,tris 2-furanyl phosphine PubChem CID: 521585 IUPAC Name: tris(furan-2-yl)phosphane SMILES: O1C=CC=C1P(C1=CC=CO1)C1=CC=CO1
| PubChem CID | 521585 |
|---|---|
| CAS | 5518-52-5 |
| Molecular Weight (g/mol) | 232.18 |
| MDL Number | MFCD00151857 |
| SMILES | O1C=CC=C1P(C1=CC=CO1)C1=CC=CO1 |
| Synonym | tri 2-furyl phosphine,tri furan-2-yl phosphine,tri-2-furyl phosphine,tris furan-2-yl phosphane,tri-2-furylphosphine,tris 2-furyl phosphine,tri furan-2-yl phosphane,trifurylphosphine,tri fur-2-yl phosphane,tris 2-furanyl phosphine |
| IUPAC Name | tris(furan-2-yl)phosphane |
| InChI Key | DLQYXUGCCKQSRJ-UHFFFAOYSA-N |
| Molecular Formula | C12H9O3P |
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 |
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 |
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 |
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 |
2,3-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 |
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 |