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75176-85-1

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Basic Information
CAS No.: 75176-85-1
Name: Benzeneacetic acid, alpha,4-diamino- (9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 75176-85-1 (Benzeneacetic acid, alpha,4-diamino- (9CI))
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: Benzeneaceticacid, a,4-diamino-, (?à)-;2-(p-Aminophenyl)glycine;4-Aminophenylglycine;N-(4-aminophenyl)glycine;glycine, N-(4-aminophenyl)-;4-Aminophenylglycine;D-4-Aminophenylglycine;
Density: 1.358 g/cm3
Boiling Point: 436.4 °C at 760 mmHg
Flash Point: 217.7 °C
PSA: 89.34000
LogP: 1.63470
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Specification

The 4-Aminophenylglycine, with the cas registry number 75176-85-1, has the systematic name of N-(4-aminophenyl)glycine. It belongs to the product category of Glycinescaffold. And the molecular formula of the chemical is C8H10N2O2.

The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 75.35 Å2; (10)Index of Refraction: 1.681; (11)Molar Refractivity: 46.29 cm3; (12)Molar Volume: 122.3 cm3; (13)Polarizability: 18.35×10-24cm3; (14)Surface Tension: 69.8 dyne/cm; (15)Density: 1.358 g/cm3; (16)Flash Point: 217.7 °C; (17)Enthalpy of Vaporization: 73.03 kJ/mol; (18)Boiling Point: 436.4 °C at 760 mmHg; (19)Vapour Pressure: 2.18E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)CNc1ccc(N)cc1
(2)InChI: InChI=1/C8H10N2O2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
(3)InChIKey: KRAWOYVPVQRUAE-UHFFFAOYAU