Basic information
- CAS
696-18-4- Standard SMILES
c1ccc(N2CC2)cc1- InChIKey
YKNKBBMRKMLLJS-UHFFFAOYSA-N- Molecular formula
- C8H9N
- Average molar mass
- 119.16 g/mol
- Monoisotopic mass
- 119.07349929
Names & identifiers
- Preferred name
- 1-Phenylaziridine
- IUPAC
- 1-phenylaziridine
- English name
- 1-phenylaziridine
- Molecular formula
- C8H9N
- Molecular weight
- 119.16
Names & synonyms
1-Phenylaziridine696-18-4N-PhenylaziridineAziridine, 1-phenyl-N-PhenylethylenimineNSC 3373EINECS 211-789-8AI3-50491DTXSID30219865RefChem:76981Aziridine, 1-phenyl-(8CI)DTXCID80142356
Show more names
Aziridine, 1-phenyl-(8CI)(9CI)211-789-8YKNKBBMRKMLLJS-UHFFFAOYSA-NMFCD00871538phenylaziridinephenyl-aziridine1-Phenyl-aziridineSCHEMBL385012
Database identifiers
- CAS
696-18-4- PubChem CID
- 69673
- DTXSID
DTXSID30219865- EC Number
- 211-789-8
- Nikkaji
- J101.061A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.7
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -21.5 °C · -21.5 °C
- Boiling point
- 70 · 70.0-70.5 °C(Press: 13 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 5.14 · 5.14±0.20(Predicted)
Chemistry & industry
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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