Basic information
- CAS
22482-11-7- Standard SMILES
COC(=O)CC(c1ccccc1)N1CC1- InChIKey
QOLYVTCWTNUFPI-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Methyl 3-(aziridin-1-yl)-3-phenylpropanoate
- IUPAC
- methyl 3-(aziridin-1-yl)-3-phenylpropanoate
Names & synonyms
22482-11-7methyl 3-(aziridin-1-yl)-3-phenylpropanoateNSC101306NCIOpen2_007018DTXSID60295339NSC-101306
Database identifiers
- CAS
22482-11-7- PubChem CID
- 265385
- DTXSID
DTXSID60295339
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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