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CAS No.: | 2216-92-4 |
---|---|
Name: | N-PHENYLGLYCINE ETHYL ESTER |
Article Data: | 122 |
Molecular Structure: | |
Formula: | C10H13NO2 |
Molecular Weight: | 179.219 |
Synonyms: | Ethyl2-(phenylamino)acetate;Ethyl N-phenylglycinate;Ethyl anilinoacetate;Ethylphenylglycinate;Phenylglycine ethyl ester; |
EINECS: | 218-702-2 |
Density: | 1.107 g/cm3 |
Melting Point: | 53-56 °C |
Boiling Point: | 274.163 °C at 760 mmHg |
Flash Point: | 119.61 °C |
Appearance: | white to light beige crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 38.33000 |
LogP: | 1.73460 |
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The Glycine, N-phenyl-,ethyl ester, with the CAS registry number 2216-92-4 and EINECS registry number 218-702-2, has the systematic name of ethyl 2-anilinoacetate. It is a kind of white to light beige crystalline powder, and should be stored at 0-6°C. The molecular formula of the chemical is C10H13NO2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Glycine, N-phenyl-,ethyl ester are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 38.33 Å2; (9)Index of Refraction: 1.549; (10)Molar Refractivity: 51.53 cm3; (11)Molar Volume: 161.8 cm3; (12)Polarizability: 20.43×10-24cm3; (13)Surface Tension: 41.2 dyne/cm; (14)Density: 1.107 g/cm3; (15)Flash Point: 119.6 °C; (16)Enthalpy of Vaporization: 51.25 kJ/mol; (17)Boiling Point: 274.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00549 mmHg at 25°C.
Preparation of Glycine, N-phenyl-,ethyl ester: This chemical can be prepared by chloroacetic acid ethyl ester and aniline. The reaction will need reagent triethylamine, and the menstruum benzene. The reaction time is 5 hours with heating, and the yield is about 77%.
Uses of Glycine, N-phenyl-,ethyl ester: It can react with isocyanatobenzene to produce 3,5-diphenyl-hydantoic acid ethyl ester. This reaction will need reagent benzene. The reaction time is 24 hours, and the yield is about 92%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)CNc1ccccc1
(2)InChI: InChI=1/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
(3)InChIKey: MLSGRWDEDYJNER-UHFFFAOYAC