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Benzyl glycinate hydrochloride

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Name

Benzyl glycinate hydrochloride

EINECS N/A
CAS No. 2462-31-9 Density 1.132 g/cm3
PSA 52.32000 LogP 2.19080
Solubility N/A 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 N/A Appearance White to off-white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2462-31-9 (Benzyl glycinate hydrochloride) Hazard Symbols N/A
Synonyms

Glycine,benzyl ester, hydrochloride (6CI,7CI,8CI);Glycine, phenylmethyl ester,hydrochloride (9CI);Benzyl glycinate hydrochloride;Glycine benzyl estermonohydrochloride;H-Gly-OBzl·HCl;

Article Data 10

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

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