Benzyl glycinate hydrochloride supplier

Name
Benzyl glycinate hydrochloride
EINECS
CAS No. 2462-31-9
Article Data10
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point 138-140°C
Formula C₉H₁₁NO₂^.HCl
Boiling Point 245.5 °C at 760 mmHg
Molecular Weight 201.653
Flash Point 110.3 °C
Transport Information
Appearance White to off-white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,benzyl ester, hydrochloride (6CI,7CI,8CI);Glycine, phenylmethyl ester,hydrochloride (9CI);Benzyl glycinate hydrochloride;Glycine benzyl estermonohydrochloride;H-Gly-OBzl·HCl;
PSA 52.32000
LogP 2.19080

Benzyl glycinate hydrochloride Specification

The Glycine, phenylmethylester, hydrochloride (1:1), with the CAS registry number 2462-31-9, has the systematic name of 2-(benzyloxy)-2-oxoethanaminium chloride. It should be stored at -20°C, and it belongs to the following product categories: Amino Acid Derivatives; Glycine [Gly, G]; Amino hydrochloride. And the molecular formula of the chemical is C₉H₁₁NO₂^.HCl. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Glycine, phenylmethylester, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.75; (7)ACD/KOC (pH 5.5): 1.29; (8)ACD/KOC (pH 7.4): 43.93; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å² ; (13)Flash Point: 110.3 °C; (14)Enthalpy of Vaporization: 48.26 kJ/mol; (15)Boiling Point: 245.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0285 mmHg at 25°C.

Uses of Glycine, phenylmethylester, hydrochloride (1:1): It can react with chloro-oxo-acetic acid methyl ester to produce (methoxycarbonecarbonyl-amino)-acetic acid benzyl ester. This reaction will need reagent toluene. The reaction time is 4 hours with heating, and the yield is about 76%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O=C(OCc1ccccc1)C[NH3+]
(2)InChI: InChI=1/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
(3)InChIKey: VLQHNAMRWPQWNK-UHFFFAOYAI

Product Name

Benzyl glycinate hydrochloride

Benzyl glycinate hydrochloride Specification

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