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CAS No.: | 1738-68-7 |
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Name: | GLYCINE BENZYL ESTER HYDROCHLORIDE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | Glycine,benzyl ester (6CI,7CI,8CI);Benzyl aminoacetate;Benzyl glycinate;Amino-acetic acid benzyl ester;Benzyl aminoacetate;Glycine benzyl ester;Glycine, benzyl ester; |
EINECS: | 217-092-5 |
Density: | 1.132 g/cm3 |
Melting Point: | 138-140oC |
Boiling Point: | 245.5 °C at 760 mmHg |
Flash Point: | 110.3 °C |
Appearance: | White solid |
PSA: | 52.32000 |
LogP: | 1.38880 |
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The Glycine, phenylmethylester, with the CAS registry number 1738-68-7 and EINECS registry number 217-092-5, has the systematic name of benzyl glycinate. It is a kind of white solid, belongs to the following product categories: Amino Acids and Derivatives; Amino Acids 13C, 2H, 15N; Amino Acid Derivatives; Amino Acids & Derivatives; Inhibitors. It is always used as potent crosslinking inhibitors. And the molecular formula of the chemical is C9H11NO2. What's more, it should be stored at -20°C.
The characteristics of Glycine, phenylmethylester are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 45.74 cm3; (9)Molar Volume: 145.9 cm3; (10)Polarizability: 18.13×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.132 g/cm3; (13)Flash Point: 110.3 °C; (14)nthalpy of Vaporization: 48.26 kJ/mol; (15)Boiling Point: 245.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0285 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)CN
(2)InChI: InChI=1/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2
(3)InChIKey: JXYACYYPACQCDM-UHFFFAOYAX