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CAS No.: | 19008-43-6 |
---|---|
Name: | Benzyl p-aminobenzoate |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C14H13NO2 |
Molecular Weight: | 227.263 |
Synonyms: | benzyl 4-aminobenzoate;Benzoic acid, 4-amino-, phenylmethyl ester;4-Aminobenzoic acid benzyl ester; |
EINECS: | 242-741-4 |
Density: | 1.194 g/cm3 |
Melting Point: | 84.7 °C |
Boiling Point: | 411.8 °C at 760 mmHg |
Flash Point: | 242.1 °C |
PSA: | 52.32000 |
LogP: | 3.20700 |
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The Benzyl p-aminobenzoate, with the CAS registry number 19008-43-6 and EINECS registry number 242-741-4, has the systematic name of benzyl 4-aminobenzoate. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of this chemical is C14H13NO2.
The physical properties of Benzyl p-aminobenzoate are as following: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.53; (6)ACD/BCF (pH 7.4): 155.64; (7)ACD/KOC (pH 5.5): 1289.52; (8)ACD/KOC (pH 7.4): 1290.39; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 66.74 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 26.46×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 242.1 °C; (20)Enthalpy of Vaporization: 66.44 kJ/mol; (21)Boiling Point: 411.8 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)c2ccc(N)cc2
(2)InChI: InChI=1/C14H13NO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10,15H2
(3)InChIKey: DAOPOOMCXJPWPK-UHFFFAOYAR