Organoheterocyclic compounds
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1-Cyano-4-(dimethylamino)pyridinium tetrafluoroborate, 98%
CAS: 59016-56-7 Molecular Formula: C8H10BF4N3 Molecular Weight (g/mol): 234.99 MDL Number: MFCD00011998 InChI Key: MBLVMDCQDCVKNE-UHFFFAOYSA-N Synonym: cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate PubChem CID: 9881151 IUPAC Name: 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
| PubChem CID | 9881151 |
|---|---|
| CAS | 59016-56-7 |
| Molecular Weight (g/mol) | 234.99 |
| MDL Number | MFCD00011998 |
| SMILES | F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N |
| Synonym | cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate |
| IUPAC Name | 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate |
| InChI Key | MBLVMDCQDCVKNE-UHFFFAOYSA-N |
| Molecular Formula | C8H10BF4N3 |
beta-Naphthoflavone, 98+%
CAS: 6051-87-2 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.303 MDL Number: MFCD00004986 InChI Key: OUGIDAPQYNCXRA-UHFFFAOYSA-N Synonym: beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone PubChem CID: 2361 ChEBI: CHEBI:77013 IUPAC Name: 3-phenylbenzo[f]chromen-1-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
| PubChem CID | 2361 |
|---|---|
| CAS | 6051-87-2 |
| Molecular Weight (g/mol) | 272.303 |
| ChEBI | CHEBI:77013 |
| MDL Number | MFCD00004986 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 |
| Synonym | beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone |
| IUPAC Name | 3-phenylbenzo[f]chromen-1-one |
| InChI Key | OUGIDAPQYNCXRA-UHFFFAOYSA-N |
| Molecular Formula | C19H12O2 |
5-Fluorouracil 99.0+%, TCI America™
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
1-Methylimidazole, 99%
CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1
| PubChem CID | 1390 |
|---|---|
| CAS | 616-47-7 |
| Molecular Weight (g/mol) | 82.11 |
| ChEBI | CHEBI:113454 |
| MDL Number | MFCD00005292 |
| SMILES | CN1C=CN=C1 |
| Synonym | 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole |
| InChI Key | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
5-Amino-2-methylbenzothiazole, 99%
CAS: 13382-43-9 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00226291 InChI Key: GPWQHYMVUZYWIK-UHFFFAOYSA-N Synonym: 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine PubChem CID: 36229 IUPAC Name: 2-methyl-1,3-benzothiazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2S1
| PubChem CID | 36229 |
|---|---|
| CAS | 13382-43-9 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00226291 |
| SMILES | CC1=NC2=CC(N)=CC=C2S1 |
| Synonym | 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine |
| IUPAC Name | 2-methyl-1,3-benzothiazol-5-amine |
| InChI Key | GPWQHYMVUZYWIK-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
Europium(III) thenoyltrifluoroacetonate, trihydrate, 95%
CAS: 21392-96-1 Molecular Formula: C24H12EuF9O6S3·3H2O Molecular Weight (g/mol): 869.54 MDL Number: MFCD00150912 InChI Key: LSMLVRQTTAIDBZ-BSWAEIBTSA-N Synonym: tris 4,4,4-trifluoro-1-2-thienyl-1,3-butanediono europium iii hydrate PubChem CID: 91873327 IUPAC Name: erbium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one;hydrate SMILES: C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.O.[Er]
| PubChem CID | 91873327 |
|---|---|
| CAS | 21392-96-1 |
| Molecular Weight (g/mol) | 869.54 |
| MDL Number | MFCD00150912 |
| SMILES | C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.O.[Er] |
| Synonym | tris 4,4,4-trifluoro-1-2-thienyl-1,3-butanediono europium iii hydrate |
| IUPAC Name | erbium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one;hydrate |
| InChI Key | LSMLVRQTTAIDBZ-BSWAEIBTSA-N |
| Molecular Formula | C24H12EuF9O6S3·3H2O |
3',4'-(Methylenedioxy)acetophenone, 98%
CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
| PubChem CID | 76622 |
|---|---|
| CAS | 3162-29-6 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00005831 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCO2 |
| Synonym | 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)ethanone |
| InChI Key | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Amino-7-(trifluoromethyl)quinoline, 98%
CAS: 243666-11-7 Molecular Formula: C10H7F3N2 Molecular Weight (g/mol): 212.175 MDL Number: MFCD00269411 InChI Key: QZOOIAOULGJTJI-UHFFFAOYSA-N Synonym: 4-amino-7-trifluoromethyl quinoline,7-trifluoromethyl quinolin-4-amine,4-amino-7-trifluoromethylquinoline,7-trifluoromethyl-4-quinolylamine,acmc-1capy,4-amino-7-trifluromethyl quinoline,7-trifluoromethyl-quinolin-4-ylamine,4-quinolinamine,7-trifluoromethyl,4-amino-7-trifluoromethoxylquinoline,7-trifluoromethyl-4-quinolinamine PubChem CID: 2735960 IUPAC Name: 7-(trifluoromethyl)quinolin-4-amine SMILES: C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N
| PubChem CID | 2735960 |
|---|---|
| CAS | 243666-11-7 |
| Molecular Weight (g/mol) | 212.175 |
| MDL Number | MFCD00269411 |
| SMILES | C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N |
| Synonym | 4-amino-7-trifluoromethyl quinoline,7-trifluoromethyl quinolin-4-amine,4-amino-7-trifluoromethylquinoline,7-trifluoromethyl-4-quinolylamine,acmc-1capy,4-amino-7-trifluromethyl quinoline,7-trifluoromethyl-quinolin-4-ylamine,4-quinolinamine,7-trifluoromethyl,4-amino-7-trifluoromethoxylquinoline,7-trifluoromethyl-4-quinolinamine |
| IUPAC Name | 7-(trifluoromethyl)quinolin-4-amine |
| InChI Key | QZOOIAOULGJTJI-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3N2 |
4,7-Diphenyl-1,10-phenanthroline, 99%
CAS: 1662-01-7 Molecular Formula: C24H16N2 Molecular Weight (g/mol): 332.39 MDL Number: MFCD00004976 InChI Key: DHDHJYNTEFLIHY-UHFFFAOYSA-N Synonym: bathophenanthroline,1,10-phenanthroline, 4,7-diphenyl,bphen,1,10-bathophenanthroline,bathophenanthrolin,bathophenanthrolin german,unii-4a2b091f0g,4,7-diphenyl-1,10-diazaphenanthrene,gnf-pf-4554,4,7-diphenylpyridino 3,2-h quinoline PubChem CID: 72812 ChEBI: CHEBI:77995 IUPAC Name: 4,7-diphenyl-1,10-phenanthroline SMILES: C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
| PubChem CID | 72812 |
|---|---|
| CAS | 1662-01-7 |
| Molecular Weight (g/mol) | 332.39 |
| ChEBI | CHEBI:77995 |
| MDL Number | MFCD00004976 |
| SMILES | C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5 |
| Synonym | bathophenanthroline,1,10-phenanthroline, 4,7-diphenyl,bphen,1,10-bathophenanthroline,bathophenanthrolin,bathophenanthrolin german,unii-4a2b091f0g,4,7-diphenyl-1,10-diazaphenanthrene,gnf-pf-4554,4,7-diphenylpyridino 3,2-h quinoline |
| IUPAC Name | 4,7-diphenyl-1,10-phenanthroline |
| InChI Key | DHDHJYNTEFLIHY-UHFFFAOYSA-N |
| Molecular Formula | C24H16N2 |
Pyridinium p-toluenesulfonate, 98+%
CAS: 24057-28-1 Molecular Formula: C12H13NO3S MDL Number: MFCD00013108 Synonym: pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt
| CAS | 24057-28-1 |
|---|---|
| MDL Number | MFCD00013108 |
| Synonym | pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt |
| Molecular Formula | C12H13NO3S |
N-Methylmaleimide, 97%
CAS: 930-88-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005508 InChI Key: SEEYREPSKCQBBF-UHFFFAOYSA-N Synonym: n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione PubChem CID: 70261 IUPAC Name: 1-methylpyrrole-2,5-dione SMILES: CN1C(=O)C=CC1=O
| PubChem CID | 70261 |
|---|---|
| CAS | 930-88-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00005508 |
| SMILES | CN1C(=O)C=CC1=O |
| Synonym | n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione |
| IUPAC Name | 1-methylpyrrole-2,5-dione |
| InChI Key | SEEYREPSKCQBBF-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
1,8-Cineole, 99%
CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2
| PubChem CID | 2758 |
|---|---|
| CAS | 470-82-6 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00167977 |
| SMILES | CC12CCC(CC1)C(C)(C)O2 |
| Synonym | eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| InChI Key | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
2-Mercaptopyridine N-oxide sodium salt, 40% aq. soln.
CAS: 3811-73-2 Molecular Formula: C5H4NNaOS Molecular Weight (g/mol): 149.143 MDL Number: MFCD01941547 InChI Key: XNRNJIIJLOFJEK-UHFFFAOYSA-N Synonym: sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van PubChem CID: 19658 IUPAC Name: sodium;1-oxidopyridine-2-thione SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
| PubChem CID | 19658 |
|---|---|
| CAS | 3811-73-2 |
| Molecular Weight (g/mol) | 149.143 |
| MDL Number | MFCD01941547 |
| SMILES | C1=CC(=S)N(C=C1)[O-].[Na+] |
| Synonym | sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van |
| IUPAC Name | sodium;1-oxidopyridine-2-thione |
| InChI Key | XNRNJIIJLOFJEK-UHFFFAOYSA-N |
| Molecular Formula | C5H4NNaOS |
2,6-Diaminopyridine, 98%
CAS: 141-86-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006329 InChI Key: VHNQIURBCCNWDN-UHFFFAOYSA-N Synonym: 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 PubChem CID: 8861 IUPAC Name: pyridine-2,6-diamine SMILES: C1=CC(=NC(=C1)N)N
| PubChem CID | 8861 |
|---|---|
| CAS | 141-86-6 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006329 |
| SMILES | C1=CC(=NC(=C1)N)N |
| Synonym | 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 |
| IUPAC Name | pyridine-2,6-diamine |
| InChI Key | VHNQIURBCCNWDN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Pyridine, 99+%, for analysis
CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.1 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1
| PubChem CID | 1049 |
|---|---|
| CAS | 110-86-1 |
| Molecular Weight (g/mol) | 79.1 |
| ChEBI | CHEBI:16227 |
| MDL Number | MFCD00011732 |
| SMILES | C1=CC=NC=C1 |
| Synonym | azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 |
| IUPAC Name | pyridine |
| InChI Key | JUJWROOIHBZHMG-UHFFFAOYSA-N |
| Molecular Formula | C5H5N |