Basic information
- Standard SMILES
CCOC(=O)C(C)N(CCCl)Cc1ccccc1- InChIKey
IFWZONSPQJPSSQ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
Names & identifiers
- Preferred name
- 2-[Benzyl-(2-chloro-ethyl)-amino]-propionic acid ethyl ester
- IUPAC
- ethyl 2-[benzyl(2-chloroethyl)amino]propanoate
Names & synonyms
SCHEMBL11298389IFWZONSPQJPSSQ-UHFFFAOYSA-N2-[benzyl-(2-chloro-ethyl)-amino]-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 70557779
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
4 records
Compound notes
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