L-天冬氨酸-4-苄酯

Description

L-Aspartic acid-4-benzyl ester · CAS 2177-63-1 · C11H13NO4. UNII ZJ9URQ9GF6.

Identification

CAS Registry Number	2177-63-1
PubChem CID	101186
Molecular formula	C11H13NO4
IUPAC name	(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
UNII (FDA)	ZJ9URQ9GF6

Computed Descriptors

Molecular Weight	223.22
XLogP3	-2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	223.08445790
Monoisotopic Mass	223.08445790
Topological Polar Surface Area	89.6
Heavy Atom Count	16
Formal Charge	0

Regulatory Status

GHS notification summary	66.7% (2 / 3)

GHS Hazard Classification

GHS notification summary	66.7% (2 / 3)
Reported hazard statements	H315 (33.3%), H319 (33.3%), H335 (33.3%)

Synonyms

4-(Phenylmethyl) hydrogen L-aspartate; DTXSID101347319; RefChem:516617; DTXCID501776031; H-Asp(OBzl)-OH; 2177-63-1; L-Aspartic acid 4-benzyl ester; L-Aspartic acid beta-benzyl ester; 4-Benzyl L-Aspartate; (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid; beta-Benzyl L-aspartate; MFCD00037208; (S)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid; (2S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid; L-Aspartic acid |A-benzyl ester; L-Aspartic acid 4-O-benzyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of L-Aspartic acid-4-benzyl ester?

CAS 2177-63-1; molecular formula C11H13NO4; molecular weight — g/mol.

What other names is L-Aspartic acid-4-benzyl ester known by?

4-(Phenylmethyl) hydrogen L-aspartate, DTXSID101347319, RefChem:516617, DTXCID501776031, H-Asp(OBzl)-OH, 2177-63-1.

Is L-Aspartic acid-4-benzyl ester classified as hazardous?

66.7% of GHS notifications report no hazard classification (2 of 3).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.