Basic information
- CAS
99901-04-9- Standard SMILES
O=C(CCN1CC1)OCCc1ccccc1- InChIKey
IUCNLURVPBGBSJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, phenethyl ester
- IUPAC
- 2-phenylethyl 3-(aziridin-1-yl)propanoate
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, PHENETHYL ESTER1-Aziridinepropanoic acid, phenethyl esterPropionic acid, 3-(1-aziridinyl)-, phenethyl ester99901-04-9DTXSID40244305RefChem:227753DTXCID001667962-phenylethyl 3-(aziridin-1-yl)propanoateNSC159983NSC-159983
Database identifiers
- CAS
99901-04-9- PubChem CID
- 57572
- DTXSID
DTXSID40244305- Nikkaji
- J84.762C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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