Organoheterocyclic compounds
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epsilon-Caprolactam 99.0+%, TCI America™
CAS: 105-60-2 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006936 InChI Key: JBKVHLHDHHXQEQ-UHFFFAOYSA-N Synonym: epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam PubChem CID: 7768 ChEBI: CHEBI:28579 IUPAC Name: azepan-2-one SMILES: C1CCC(=O)NCC1
| PubChem CID | 7768 |
|---|---|
| CAS | 105-60-2 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:28579 |
| MDL Number | MFCD00006936 |
| SMILES | C1CCC(=O)NCC1 |
| Synonym | epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam |
| IUPAC Name | azepan-2-one |
| InChI Key | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
2,4-Piperidinedione 98.0+%, TCI America™
CAS: 50607-30-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD08704814 InChI Key: RDNZDMDLRIQQAX-UHFFFAOYSA-N Synonym: 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 PubChem CID: 10887863 IUPAC Name: piperidine-2,4-dione SMILES: C1CNC(=O)CC1=O
| PubChem CID | 10887863 |
|---|---|
| CAS | 50607-30-2 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD08704814 |
| SMILES | C1CNC(=O)CC1=O |
| Synonym | 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 |
| IUPAC Name | piperidine-2,4-dione |
| InChI Key | RDNZDMDLRIQQAX-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
N-Methyl-epsilon-caprolactam 97.0+%, TCI America™
CAS: 2556-73-2 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.187 MDL Number: MFCD00003263 InChI Key: ZWXPDGCFMMFNRW-UHFFFAOYSA-N Synonym: n-methylcaprolactam,1-methylcaprolactam,n-methyl-.epsilon.-caprolactam,2h-azepin-2-one, hexahydro-1-methyl,n-methyl-e-caprolactam,epsilon-caprolactam, n-methyl,2h-azepin-2-one, hexahydro-n-methyl,hexahydro-n-methyl-2h-azepin-2-one,n-methyl-epsilon-caprolactam,n-methyl caprolactam PubChem CID: 17369 IUPAC Name: 1-methylazepan-2-one SMILES: CN1CCCCCC1=O
| PubChem CID | 17369 |
|---|---|
| CAS | 2556-73-2 |
| Molecular Weight (g/mol) | 127.187 |
| MDL Number | MFCD00003263 |
| SMILES | CN1CCCCCC1=O |
| Synonym | n-methylcaprolactam,1-methylcaprolactam,n-methyl-.epsilon.-caprolactam,2h-azepin-2-one, hexahydro-1-methyl,n-methyl-e-caprolactam,epsilon-caprolactam, n-methyl,2h-azepin-2-one, hexahydro-n-methyl,hexahydro-n-methyl-2h-azepin-2-one,n-methyl-epsilon-caprolactam,n-methyl caprolactam |
| IUPAC Name | 1-methylazepan-2-one |
| InChI Key | ZWXPDGCFMMFNRW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
4-Benzoyloxy-2-azetidinone 98.0+%, TCI America™
CAS: 28562-58-5 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00012317 InChI Key: HJJGOOONOIFDRH-VIFPVBQESA-N PubChem CID: 2724624 IUPAC Name: (2S)-4-oxoazetidin-2-yl benzoate SMILES: O=C(O[C@H]1CC(=O)N1)C1=CC=CC=C1
| PubChem CID | 2724624 |
|---|---|
| CAS | 28562-58-5 |
| Molecular Weight (g/mol) | 191.19 |
| MDL Number | MFCD00012317 |
| SMILES | O=C(O[C@H]1CC(=O)N1)C1=CC=CC=C1 |
| IUPAC Name | (2S)-4-oxoazetidin-2-yl benzoate |
| InChI Key | HJJGOOONOIFDRH-VIFPVBQESA-N |
| Molecular Formula | C10H9NO3 |
2-Methyl-5-phenylbenzoxazole 98.0+%, TCI America™
CAS: 61931-68-8 Molecular Formula: C14H11NO Molecular Weight (g/mol): 209.248 MDL Number: MFCD00005772 InChI Key: CHZDPBVCBBQQRP-UHFFFAOYSA-N Synonym: 2-methyl-5-phenylbenzoxazole,2-methyl-5-phenylbenzo d oxazole,benzoxazole, 2-methyl-5-phenyl,2-methyl-5-phenyl-benzooxazole,2-methyl-5-phenyl benzoxazole,pubchem8655,acmc-1b9i5,2-methyl-5-phenylbenzooxazole,2-methyl-5-phenyl-benzoxazole,benzoxazole,2-methyl-5-phenyl PubChem CID: 112786 IUPAC Name: 2-methyl-5-phenyl-1,3-benzoxazole SMILES: CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3
| PubChem CID | 112786 |
|---|---|
| CAS | 61931-68-8 |
| Molecular Weight (g/mol) | 209.248 |
| MDL Number | MFCD00005772 |
| SMILES | CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3 |
| Synonym | 2-methyl-5-phenylbenzoxazole,2-methyl-5-phenylbenzo d oxazole,benzoxazole, 2-methyl-5-phenyl,2-methyl-5-phenyl-benzooxazole,2-methyl-5-phenyl benzoxazole,pubchem8655,acmc-1b9i5,2-methyl-5-phenylbenzooxazole,2-methyl-5-phenyl-benzoxazole,benzoxazole,2-methyl-5-phenyl |
| IUPAC Name | 2-methyl-5-phenyl-1,3-benzoxazole |
| InChI Key | CHZDPBVCBBQQRP-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO |
2,5,6-Trimethylbenzoxazole 98.0+%, TCI America™
CAS: 19219-98-8 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00022849 InChI Key: PDVDINPEWGXOHX-UHFFFAOYSA-N Synonym: 2,5,6-trimethylbenzoxazole,benzoxazole, 2,5,6-trimethyl,2,5,6-trimethylbenzo d oxazole,pubchem8696,2,6-trimethylbenzoxazole,acmc-1c5qd,2,5,6-trimethylbenzoxazol,benzoxazole,5,6-trimethyl,2,5,6-trimethyl-benzoxazole,benzoxazole,2,5,6-trimethyl PubChem CID: 87965 IUPAC Name: 2,5,6-trimethyl-1,3-benzoxazole SMILES: CC1=NC2=CC(C)=C(C)C=C2O1
| PubChem CID | 87965 |
|---|---|
| CAS | 19219-98-8 |
| Molecular Weight (g/mol) | 161.20 |
| MDL Number | MFCD00022849 |
| SMILES | CC1=NC2=CC(C)=C(C)C=C2O1 |
| Synonym | 2,5,6-trimethylbenzoxazole,benzoxazole, 2,5,6-trimethyl,2,5,6-trimethylbenzo d oxazole,pubchem8696,2,6-trimethylbenzoxazole,acmc-1c5qd,2,5,6-trimethylbenzoxazol,benzoxazole,5,6-trimethyl,2,5,6-trimethyl-benzoxazole,benzoxazole,2,5,6-trimethyl |
| IUPAC Name | 2,5,6-trimethyl-1,3-benzoxazole |
| InChI Key | PDVDINPEWGXOHX-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
2-Mercaptobenzoxazole 98.0+%, TCI America™
CAS: 2382-96-9 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00005769 InChI Key: FLFWJIBUZQARMD-UHFFFAOYSA-N Synonym: 2-mercaptobenzoxazole,benzo d oxazole-2-thiol,2-benzoxazolethiol,2 3h-benzoxazolethione,benzoxazole-2-thiol,2-benzoxazolinethione,1,3-benzoxazole-2-thiol,benzoxazolinethione,2-mercapto-1,3-benzoxazole,benzooxazole-2-thiol PubChem CID: 712377 IUPAC Name: 3H-1,3-benzoxazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)O2
| PubChem CID | 712377 |
|---|---|
| CAS | 2382-96-9 |
| Molecular Weight (g/mol) | 151.183 |
| MDL Number | MFCD00005769 |
| SMILES | C1=CC=C2C(=C1)NC(=S)O2 |
| Synonym | 2-mercaptobenzoxazole,benzo d oxazole-2-thiol,2-benzoxazolethiol,2 3h-benzoxazolethione,benzoxazole-2-thiol,2-benzoxazolinethione,1,3-benzoxazole-2-thiol,benzoxazolinethione,2-mercapto-1,3-benzoxazole,benzooxazole-2-thiol |
| IUPAC Name | 3H-1,3-benzoxazole-2-thione |
| InChI Key | FLFWJIBUZQARMD-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
2-Chlorobenzoxazole 98.0+%, TCI America™
CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: ClC1=NC2=CC=CC=C2O1
| PubChem CID | 11986 |
|---|---|
| CAS | 615-18-9 |
| Molecular Weight (g/mol) | 153.57 |
| MDL Number | MFCD00005766 |
| SMILES | ClC1=NC2=CC=CC=C2O1 |
| Synonym | 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole |
| IUPAC Name | 2-chloro-1,3-benzoxazole |
| InChI Key | BBVQDWDBTWSGHQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO |
N,N'-Bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™
CAS: 82953-57-9 Molecular Formula: C48H42N2O4 Molecular Weight (g/mol): 710.874 InChI Key: NAZODJSYHDYJGP-UHFFFAOYSA-N Synonym: Perylene Orange PubChem CID: 14618068 SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC=C9C(C)C)C(C)C)C2=O
| PubChem CID | 14618068 |
|---|---|
| CAS | 82953-57-9 |
| Molecular Weight (g/mol) | 710.874 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC=C9C(C)C)C(C)C)C2=O |
| Synonym | Perylene Orange |
| InChI Key | NAZODJSYHDYJGP-UHFFFAOYSA-N |
| Molecular Formula | C48H42N2O4 |
N-Hydroxy-1,8-naphthalimide 97.0+%, TCI America™
CAS: 7797-81-1 Molecular Formula: C12H7NO3 Molecular Weight (g/mol): 213.192 MDL Number: MFCD00065062 InChI Key: KTWCUGUUDHJVIH-UHFFFAOYSA-N Synonym: n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2 PubChem CID: 82263 IUPAC Name: 2-hydroxybenzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O
| PubChem CID | 82263 |
|---|---|
| CAS | 7797-81-1 |
| Molecular Weight (g/mol) | 213.192 |
| MDL Number | MFCD00065062 |
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O |
| Synonym | n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2 |
| IUPAC Name | 2-hydroxybenzo[de]isoquinoline-1,3-dione |
| InChI Key | KTWCUGUUDHJVIH-UHFFFAOYSA-N |
| Molecular Formula | C12H7NO3 |
2,5-Dimethylbenzoxazole 98.0+%, TCI America™
CAS: 5676-58-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005773 InChI Key: XVQGFGKAPKEUFT-UHFFFAOYSA-N Synonym: 2,5-dimethylbenzoxazole,2,5-dimethylbenzo d oxazole,benzoxazole, 2,5-dimethyl,2,5-dimethyl benzoxazole,pubchem8640,acmc-209lua,benzoxazole,5-dimethyl,2,5-dimethyl-benzoxazole,benzoxazole,2,5-dimethyl,# PubChem CID: 21884 IUPAC Name: 2,5-dimethyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C
| PubChem CID | 21884 |
|---|---|
| CAS | 5676-58-4 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005773 |
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C |
| Synonym | 2,5-dimethylbenzoxazole,2,5-dimethylbenzo d oxazole,benzoxazole, 2,5-dimethyl,2,5-dimethyl benzoxazole,pubchem8640,acmc-209lua,benzoxazole,5-dimethyl,2,5-dimethyl-benzoxazole,benzoxazole,2,5-dimethyl,# |
| IUPAC Name | 2,5-dimethyl-1,3-benzoxazole |
| InChI Key | XVQGFGKAPKEUFT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
5-Phenylbenzoxazole-2-thiol 98.0+%, TCI America™
CAS: 17371-99-2 Molecular Formula: C13H9NOS Molecular Weight (g/mol): 227.28 MDL Number: MFCD00022847 InChI Key: QKLMWNVNJBXKRG-UHFFFAOYSA-N Synonym: 2-Mercapto-5-phenylbenzoxazole, 5-Phenylbenzoxazoline-2(3H)-thione PubChem CID: 3032663 IUPAC Name: 5-phenyl-2,3-dihydro-1,3-benzoxazole-2-thione SMILES: S=C1NC2=CC(=CC=C2O1)C1=CC=CC=C1
| PubChem CID | 3032663 |
|---|---|
| CAS | 17371-99-2 |
| Molecular Weight (g/mol) | 227.28 |
| MDL Number | MFCD00022847 |
| SMILES | S=C1NC2=CC(=CC=C2O1)C1=CC=CC=C1 |
| Synonym | 2-Mercapto-5-phenylbenzoxazole, 5-Phenylbenzoxazoline-2(3H)-thione |
| IUPAC Name | 5-phenyl-2,3-dihydro-1,3-benzoxazole-2-thione |
| InChI Key | QKLMWNVNJBXKRG-UHFFFAOYSA-N |
| Molecular Formula | C13H9NOS |
2,3-Difluoroisonicotinic Acid 98.0+%, TCI America™
CAS: 851386-31-7 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.092 MDL Number: MFCD09031174 InChI Key: FFGHMEKFPCGYEG-UHFFFAOYSA-N Synonym: 2,3-difluoroisonicotinic acid,2,3-difluoro-4-pyridinecarboxylic acid,2,3-difluoro-4-carboxypyridine,4-pyridinecarboxylic acid, 2,3-difluoro,2,3-fifluoroisonicotinic acid,4-carboxy-2,3-difluoropyridine,2,3-difluoroisonicotinicacid,pubchem18431,ksc447o0d,5,6-difluoropyridine-4-carboxylic acid PubChem CID: 11240637 IUPAC Name: 2,3-difluoropyridine-4-carboxylic acid SMILES: C1=CN=C(C(=C1C(=O)O)F)F
| PubChem CID | 11240637 |
|---|---|
| CAS | 851386-31-7 |
| Molecular Weight (g/mol) | 159.092 |
| MDL Number | MFCD09031174 |
| SMILES | C1=CN=C(C(=C1C(=O)O)F)F |
| Synonym | 2,3-difluoroisonicotinic acid,2,3-difluoro-4-pyridinecarboxylic acid,2,3-difluoro-4-carboxypyridine,4-pyridinecarboxylic acid, 2,3-difluoro,2,3-fifluoroisonicotinic acid,4-carboxy-2,3-difluoropyridine,2,3-difluoroisonicotinicacid,pubchem18431,ksc447o0d,5,6-difluoropyridine-4-carboxylic acid |
| IUPAC Name | 2,3-difluoropyridine-4-carboxylic acid |
| InChI Key | FFGHMEKFPCGYEG-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2NO2 |
4-Amino-3-methylpyridine 98.0+%, TCI America™
CAS: 1990-90-5 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD01704431 InChI Key: VGJLGPCXUGIXRQ-UHFFFAOYSA-N Synonym: 4-Amino-3-picoline PubChem CID: 74811 IUPAC Name: 3-methylpyridin-4-amine SMILES: CC1=CN=CC=C1N
| PubChem CID | 74811 |
|---|---|
| CAS | 1990-90-5 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD01704431 |
| SMILES | CC1=CN=CC=C1N |
| Synonym | 4-Amino-3-picoline |
| IUPAC Name | 3-methylpyridin-4-amine |
| InChI Key | VGJLGPCXUGIXRQ-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |