L-Alanine, 2-chloroethyl ester
Basic information
- CAS
707533-39-9- Standard SMILES
C[C@H](N)C(=O)OCCCl- InChIKey
JVBYOKWZWMIKQZ-BYPYZUCNSA-N- Molecular formula
- C5H10ClNO2
- Average molar mass
- 151.59 g/mol
Names & identifiers
- Preferred name
- L-Alanine, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl (2S)-2-aminopropanoate
- English name
- Alanine, 2-chloroethyl ester (9CI)
- Molecular formula
- C5H10ClNO2
- Molecular weight
- 151.59
Names & synonyms
116339-89-0SCHEMBL6261853L-Alanine, 2-chloroethyl esterAKOS006383403707533-39-9DB-276971Alanine, 2-chloroethyl esterAlanine, 2-chloroethyl ester (9CI)
Database identifiers
- CAS
707533-39-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Boiling point
- 208.4 · 208.4±15.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.29(Predicted)
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Compound notes
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