beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
Basic information
- CAS
92105-56-1- Standard SMILES
COC(=O)CC[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
VFERURGQBKVBDV-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2NO2
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 291.0792842
Names & identifiers
- Preferred name
- beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-(3-methoxy-3-oxopropyl)azanium chloride
- English name
- benzyl-(2-chloroethyl)-(2-methoxycarbonylethyl)azanium chloride
- Molecular formula
- C13H19Cl2NO2
- Molecular weight
- 0
Names & synonyms
92105-56-1beta-ALANINE, N-BENZYL-N-(2-CHLOROETHYL)-, METHYL ESTER, HYDROCHLORIDERefChem:1079602N-Benzyl-N-(2-chloroethyl)-beta-alanine methyl ester hydrochloridebenzyl-(2-chloroethyl)-(2-methoxycarbonylethyl)azanium chloride
Database identifiers
- CAS
92105-56-1- PubChem CID
- 56335
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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