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17859-70-0

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Basic Information
CAS No.: 17859-70-0
Name: (4-benzyloxycarbonylaminophenyl)-acetic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 17859-70-0 ((4-benzyloxycarbonylaminophenyl)-acetic acid)
Formula: C16H15NO4
Molecular Weight: 285.299
Synonyms: RARECHEM AL CF 0665;(4-BENZYLOXYCARBONYLAMINOPHENYL)-ACETIC ACID;N-4-CARBOBENZOXY-4-AMINOPHENYLACETIC ACID;N-CARBOBENZOXY-P-AMINOPHENYLACETIC ACID
Density: 1.315 g/cm3
Boiling Point: 441.606 °C at 760 mmHg
Flash Point: 220.876 °C
PSA: 75.63000
LogP: 3.13540
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    (4-benzyloxycarbonylaminophenyl)-acetic acid

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  • (4-BENZYLOXYCARBONYLAMINOPHENYL)-ACETIC ACID

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    (4-BENZYLOXYCARBONYLAMINOPHENYL)-ACETIC ACID

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Specification

The (4-benzyloxycarbonylaminophenyl)-acetic acid is an organic compound with the formula C16H15NO4. The systematic name of this chemical is (4-{[(benzyloxy)carbonyl]amino}phenyl)acetic acid. With the CAS registry number 17859-70-0, it is also named as N-Carbobenzoxy-p-aminophenylacetic acid.

Physical properties about (4-benzyloxycarbonylaminophenyl)-acetic acid are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 75.63 Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 77.871 cm3; (14)Molar Volume: 217.023 cm3; (15)Polarizability: 30.871×10-24cm3; (16)Surface Tension: 58.898 dyne/cm; (17)Density: 1.315 g/cm3; (18)Flash Point: 220.876 °C; (19)Enthalpy of Vaporization: 73.664 kJ/mol; (20)Boiling Point: 441.606 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CC(O)=O)OCc2ccccc2
(2)InChI: InChI=1/C16H15NO4/c18-15(19)10-12-6-8-14(9-7-12)17-16(20)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,18,19)
(3)InChIKey: GIXZPLVJWDISOJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H15NO4/c18-15(19)10-12-6-8-14(9-7-12)17-16(20)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,18,19)
(5)Std. InChIKey: GIXZPLVJWDISOJ-UHFFFAOYSA-N