Basic information
- CAS
7646-66-4- Standard SMILES
O=C(c1ccccc1)N1CC1- InChIKey
HGBCPYMIZWPKMI-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- N-Benzoylaziridine
- IUPAC
- aziridin-1-yl(phenyl)methanone
- English name
- 1-benzoylaziridine
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
1-Benzoylaziridine7646-66-41-BenzoylethylenimineN-BenzoylaziridineN-BenzoylethylenimineAZIRIDINE, 1-BENZOYL-AI3-50744NSC-3374NSC-219873ARY8E9KP69DTXSID10227261RefChem:1091556
Show more names
Methanone,1-aziridinylphenyl-Phenyl(aziridine-1-yl) ketoneAziridine, 1-benzoyl- (6CI,7CI,8CI,9CI)
DTXCID10149752231-586-8aziridin-1-yl(phenyl)methanoneWLN: T3NTJ AVRBenzoylethylenimideNSC 3374EINECS 231-586-8NSC 219873
Database identifiers
- CAS
7646-66-4- PubChem CID
- 24286
- DTXSID
DTXSID10227261- UNII
- ARY8E9KP69
- EC Number
- 231-586-8
- Nikkaji
- J15.226I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 8 · 8-9 °C
- Boiling point
- 270.4 · 270.4±9.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- -3.09 · -3.09±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 E9KP69 · ARY8E9KP69
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…