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CAS No.: | 17136-36-6 |
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Name: | N-Benzylglycine |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | Glycine,N-benzyl- (6CI,8CI);(Benzylamino)acetic acid;(N-Benzylamino)acetic acid;2-(Benzylamino)acetic acid;N-Benzylglycine;NSC 166840;Glycine, N-(phenylmethyl)-; |
EINECS: | 241-194-9 |
Density: | 1.161 g/cm3 |
Melting Point: | 232 °C (dec.)(lit.) |
Boiling Point: | 308.9 °C at 760 mmHg |
Flash Point: | 140.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 49.33000 |
LogP: | 1.25170 |
The Glycine,N-(phenylmethyl)-, with the CAS registry number 17136-36-6 and EINECS registry number 241-194-9, has the systematic name of N-benzylglycine. It belongs to the following product categories: Food and Feed Additive; Amino Acids and Derivatives. And the molecular formula of the chemical is C9H11NO2.
The characteristics of Glycine,N-(phenylmethyl)- are as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 45.59 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 18.07×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 140.6 °C; (20)Enthalpy of Vaporization: 58.03 kJ/mol; (21)Boiling Point: 308.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000285 mmHg at 25°C.
Uses of Glycine,N-(phenylmethyl)-: It can react with formaldehyde to produce N-benzyloxazolidin-5-one. This reaction will need reagent benzene. The reaction time is 2 hours with temperature of 55°C, and the yield is about 100%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CNCc1ccccc1
(2)InChI: InChI=1/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
(3)InChIKey: KGSVNOLLROCJQM-UHFFFAOYAX