N-(2-Chloroethyl)aziridine
Basic information
- CAS
694-03-1- Standard SMILES
ClCCN1CC1- InChIKey
YZXPJVLVVIQNPF-UHFFFAOYSA-N- Molecular formula
- C4H8ClN
- Average molar mass
- 105.56 g/mol
- Monoisotopic mass
- 105.034527
Overview
a cytotoxic metabolite of cyclophosphamide
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)aziridine
- IUPAC
- 1-(2-chloroethyl)aziridine
- English name
- N-(2-chloroethyl)aziridine
- Molecular formula
- C4H8ClN
- Molecular weight
- 105.57
Names & synonyms
694-03-1N-2-ChloroethylaziridineN-(2-Chloroethyl)aziridineDTXSID00219519RefChem:161713DTXCID001420101-(2-Chloroethyl)aziridinechloroethylaziridine1-(2-Chloroethyl) AziridineSCHEMBL11570567Aziridine, 1-(2-chloroethyl)-AKOS006386122
Database identifiers
- CAS
694-03-1- PubChem CID
- 150844
- DTXSID
DTXSID00219519- Nikkaji
- J740.165E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 42.8
Physicochemical properties
- Boiling point
- 23 °C · 23 °C(Press: 10 Torr)
- Density
- 1.017 g/cm3 · 1.017 g/cm3
- pka
- 6.45 · 6.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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