CAS 6525-53-7 Dimethyl glutamate (HCID 93032)

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Basic information

CAS: 6525-53-7
Standard SMILES: COC(=O)CC[C@H](N)C(=O)OC
InChIKey: YEJSPQZHMWGIGP-YFKPBYRVSA-N
Molecular formula: C7H13NO4
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.0844579

Overview

L-glutamic acid, dimethyl ester is a glutamic acid derivative.

Names & identifiers

Preferred name: Dimethyl glutamate
IUPAC: dimethyl (2S)-2-aminopentanedioate
English name: dimethyl glutamate
Molecular formula: C7H13NO4
Molecular weight: 175.18

Names & synonyms

6525-53-7dimethyl l-glutamateDimethyl glutamateGlutamic acid dimethyl ester3K9BK9LB73DTXSID40215570RefChem:920306DTXCID70138061229-414-1(S)-dimethyl 2-aminopentanedioatedimethyl (2S)-2-aminopentanedioateL-Glutamic acid, dimethyl ester

Show more names

-Dimethyl 2-aminopentanedioateL-GlutaMic acid,1,5-diMethyl esterPemetrexed Impurity 75(Dimethyl glutamate)L-GlutaMic acid, 1,5-diMethyl ester, hydrochloride(S)-4-(Methoxycarbonyl)-2-aminobutyric acid methyl ester(S)-2-Amino-4-(methoxycarbonyl)butyric acid methyl ester

L-Glutamic acid, 1,5-dimethyl esterL-GLUTAMIC ACID DIMETHYL ESTERUNII-3K9BK9LB73(S)-Dimethyl2-aminopentanedioateGlutamic acid, dimethyl ester, L-EINECS 229-414-1H-Glu-ODiMeMFCD08669750

Database identifiers

CAS: 6525-53-7
PubChem CID: 93032

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 136 · 136-138 °C(Solv: ligroine (8032-32-4))
Boiling point: 224.3 · 224.3±25.0 °C(Predicted)
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 6.9 · 6.90±0.35(Predicted)
FDA UNII: 3 K9BK9LB73 · 3K9BK9LB73
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P302+P352-P304+P340-P305+P351+P338-P312-P321
HS Code: 2922420090 · 2922420090