Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
Basic information
- CAS
10164-78-0- Standard SMILES
COC(=O)CCN(CCCl)Cc1ccccc1- InChIKey
MERNVJRINBWOSM-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO2
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.1026065
Names & identifiers
- Preferred name
- Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
- IUPAC
- methyl 3-[benzyl(2-chloroethyl)amino]propanoate
Names & synonyms
DTXSID50122093310164-78-0Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninateI(2)-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester
Database identifiers
- CAS
10164-78-0- PubChem CID
- 56336
- DTXSID
DTXSID501220933
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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