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| CAS No.: | 205259-41-2 |
|---|---|
| Name: | Benzyl 2-amino-4-(benzyloxy)-5-methoxybenzoate |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C22H21NO4 |
| Molecular Weight: | 363.413 |
| Synonyms: | Benzyl 2-amino-4-(benzyloxy)-5-methoxybenzoate; |
| Density: | 1.215 |
| Boiling Point: | 544.679 °C at 760 mmHg |
| Flash Point: | 216.221 °C |
| PSA: | 70.78000 |
| LogP: | 4.79460 |
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- Total:17 Page 1 of 1 1
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Specification
The Benzyl 2-amino-4-(benzyloxy)-5-methoxybenzoate with molecular formula of C22H21NO4 is a kind of organic compounds. Its cas registry number is 205259-41-2. Both its IUPAC name and systematic name is called the same wich is benzyl 2-amino-5-methoxy-4-phenylmethoxybenzoate .
Physical properties about this chemical are: (1) ACD/LogP: 5.42 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): 5 ; (4) ACD/LogD (pH 7.4): 5 ; (5) ACD/BCF (pH 5.5): 5363 ; (6) ACD/BCF (pH 7.4): 5363 ; (7) ACD/KOC (pH 5.5): 16259 ; (8) ACD/KOC (pH 7.4): 16260 ; (9) #H bond acceptors: 5 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 9 ; (12) Polar Surface Area: 70.78 Å2 ; (13) Index of Refraction: 1.617 ; (14) Molar Refractivity: 104.594 cm3 ; (15) Molar Volume: 299.014 cm3 ; (16) Surface Tension: 50.117 dyne/cm ; (17) Density: 1.215 g/cm3 ; (18) Flash Point: 216.221 °C ; (19) Enthalpy of Vaporization: 82.334 kJ/mol ; (20) Boiling Point: 544.679 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OCc1ccccc1)c3c(cc(OCc2ccccc2)c(OC)c3)N;
(2) InChI:InChI=1/C22H21NO4/c1-25-20-12-18(22(24)27-15-17-10-6-3-7-11-17)19(23)13-21(20)26-14-16-8-4-2-5-9-16/h2-13H,14-15,23H2,1H3;
(3) InChIKey:RYRBFKYVUCZMJW-UHFFFAOYAW