CAS No.124221-69-8,3'-AMINO-BIPHENYL-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	124221-69-8
Name:	3'-AMINO-BIPHENYL-4-CARBOXYLIC ACID

Formula:	C₁₃H₁₁NO₂
Molecular Weight:	213.236
Synonyms:	3'-aminobiphenyl-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 3'-amino-;3'-Aminobiphenyl-4-carboxylic acid;
Density:	1.257 g/cm³
Boiling Point:	455.7 °C at 760 mmHg
Flash Point:	229.4 °C
Hazard Symbols:	Xi
PSA:	63.32000
LogP:	3.21520

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Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 3'-amino-, with the CAS registry number 124221-69-8, has the systematic name of 3'-aminobiphenyl-4-carboxylic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C₁₃H₁₁NO₂.

The characteristics of [1,1'-Biphenyl]-4-carboxylicacid, 3'-amino- are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.84; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 62.01 cm³; (15)Molar Volume: 169.5 cm³; (16)Polarizability: 24.58×10^-24cm³; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.257 g/cm³; (19)Flash Point: 229.4 °C; (20)Enthalpy of Vaporization: 75.4 kJ/mol; (21)Boiling Point: 455.7 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)c2cc(N)ccc2
(2)InChI: InChI=1/C13H11NO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,14H2,(H,15,16)
(3)InChIKey: QUVFHVHLCFFINS-UHFFFAOYAQ