N-Carbobenzyloxy-L-aspartic acid

Catalog	BBC1152610
CAS	1152-61-0
Structure
Synonyms	N-Benzyloxycarbonyl-L-aspartic acid
IUPAC Name	(2S)-2-(phenylmethoxycarbonylamino)butanedioic acid
Molecular Weight	267.23
Molecular Formula	C12H13NO6
Canonical SMILES	C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChI Key	XYXYXSKSTZAEJW-VIFPVBQESA-N
Boiling Point	410.42 °C
Melting Point	117-119 °C (lit.)
Purity	98%
Density	1.33 g/ml
Appearance	White solid
pKa	3.75±0.23
Refractive Index	9.5 ° (C=7, AcOH)