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| CAS No.: | 77385-90-1 |
|---|---|
| Name: | N,N-DIBENZYLGLYCINE ETHYL ESTER |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C18H21NO2 |
| Molecular Weight: | 283.37 |
| Synonyms: | N,N-Dibenzyl-O-ethylglycinate;N,N-Dibenzylglycine ethyl ester;Ethyl N,N-dibenzylglycinate;Ethyl2-(dibenzylamino)acetate;Ethyl (dibenzylamino)acetate;Glycine,N,N-dibenzyl-, ethyl ester (6CI); |
| Density: | 1.091 g/cm3 |
| Melting Point: | 56 °C |
| Boiling Point: | 375.8 °C at 760 mmHg |
| Flash Point: | 122.5 °C |
| PSA: | 29.54000 |
| LogP: | 3.25190 |
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Specification
The Glycine,N,N-bis(phenylmethyl)-, ethyl ester is an organic compound with the formula C18H21NO2. The systematic name of this chemical is ethyl N,N-dibenzylglycinate. With the CAS registry number 77385-90-1, it is also named as N,N-Dibenzylglycine Ethyl Ester. The product's categories are Amino Acid Ethyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry. Besides, it should be stored in a closed cool and dry place.
Physical properties about Glycine,N,N-bis(phenylmethyl)-, ethyl ester are: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.47; (3)ACD/LogD (pH 7.4): 4.75; (4)ACD/BCF (pH 5.5): 1247.4; (5)ACD/BCF (pH 7.4): 2390.08; (6)ACD/KOC (pH 5.5): 4742.49; (7)ACD/KOC (pH 7.4): 9086.84; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 84.31 cm3; (13)Molar Volume: 259.7 cm3; (14)Polarizability: 33.42×10-24cm3; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.091 g/cm3; (17)Flash Point: 122.5 °C; (18)Enthalpy of Vaporization: 62.34 kJ/mol; (19)Boiling Point: 375.8 °C at 760 mmHg; (20)Vapour Pressure: 7.59E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CN(Cc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
(3)InChIKey: AFMDCFOWHWNQBP-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
(5)Std. InChIKey: AFMDCFOWHWNQBP-UHFFFAOYSA-N