(S)-Benzyl 2-amino-3-hydroxypropanoate

HCID 854069

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Basic information

CAS: 1738-72-3
Standard SMILES: N[C@@H](CO)C(=O)OCc1ccccc1
InChIKey: IIDNACBMUWTYIV-VIFPVBQESA-N
Molecular formula: C10H13NO3
Average molar mass: 195.21 g/mol
Monoisotopic mass: 195.08954328

Names & identifiers

Preferred name: (S)-Benzyl 2-amino-3-hydroxypropanoate
IUPAC: benzyl (2S)-2-amino-3-hydroxypropanoate
English name: H-Ser-OBzl HCl
Molecular formula: C10H13NO3
Molecular weight: 195.22

Names & synonyms

(S)-Benzyl 2-amino-3-hydroxypropanoate1738-72-3DTXSID40357545RefChem:211131DTXCID30308602L-Serine, phenylmethyl esterbenzyl (2S)-2-amino-3-hydroxypropanoatebenzyl L-serinateL-Serine phenylmethyl esterL-SERINE BENZYL ESTERH-Ser-OBzlH-D-Ser-OBzl hydrochloride salt

Show more names

SER(BZL)CLSER-OBZLHCLSer(Bzl) HClL-Ser-OBzl-OHH-Ser-OBzl·HCIL-Ser-OBzl·HClH-Ser-OBzl HCl

serine benzyl esterL-Ser-OBzlH-D-Ser-OBzl(S)-Benzyl2-amino-3-hydroxypropanoateSCHEMBL218263AKOS010531147CS-0173542EN300-374100

Database identifiers

CAS: 1738-72-3
PubChem CID: 854069
DTXSID: DTXSID40357545
Nikkaji: J775.764F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 360.4 · 360.4±27.0 °C(Predicted)
Density: 1.217 · 1.217±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
pka: 11.93 · 11.93±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · 3