CAS 13030-09-6 L-Glutamic acid alpha-benzyl ester (HCID 7009632)

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Basic information

CAS: 13030-09-6
Standard SMILES: N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIKey: HFZKKJHBHCZXTQ-JTQLQIEISA-N
Molecular formula: C12H15NO4
Average molar mass: 237.25 g/mol

Names & identifiers

Preferred name: L-Glutamic acid alpha-benzyl ester
English name: L-Glutamic acid alpha-benzyl ester
Molecular formula: C12H15NO4
Molecular weight: 237.25

Names & synonyms

H-GLU-OBZL(S)-4-amino-5-(benzyloxy)-5-oxopentanoic acidGlu-Obn1-benzyl l-glutamate1-(Phenylmethyl) hydrogen L-glutamateH-L-Glu-OBzlGLUTAMIC ACID-OBZLA-BENZYL-L-GLUTAMATEL-ALPHA-BENZYL GLUTAMATE1-Benzyl L-Glutamate >

Database identifiers

CAS: 13030-09-6
PubChem CID: 7009632
EC Number: 692-605-7
Nikkaji: J396.128A

Properties

Physicochemical properties

Melting point: 157 °C · 157 °C
Boiling point: 416 · 416.0±40.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 4.21 · 4.21±0.10(Predicted)
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
InChIKey: HFZKKJHBHCZXTQ-JTQLQIEISA-N
SMILES: C(OCC1=CC=CC=C1)(=O)[C@H](CCC(O)=O)N
CAS DataBase Reference: 13030 · 13030-09-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2922.42 · 2922.42.5000
REACH Registrations: Active