Basic information
- CAS
24116-20-9- Standard SMILES
O=C(CCN1CC1)OCc1ccccc1- InChIKey
KPPLUOQZOZIXRR-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, benzyl ester
- IUPAC
- benzyl 3-(aziridin-1-yl)propanoate
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, BENZYL ESTER1-Aziridinepropanoic acid, benzyl ester24116-20-9DTXSID00178839RefChem:227744DTXCID10101330benzyl 3-(aziridin-1-yl)propanoate
Database identifiers
- CAS
24116-20-9- PubChem CID
- 32215
- DTXSID
DTXSID00178839- Nikkaji
- J84.743G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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