Products Categories
CAS No.: | 124221-69-8 |
---|---|
Name: | 3'-AMINO-BIPHENYL-4-CARBOXYLIC ACID |
Molecular Structure: | |
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 |
What can I do for you?
Get Best Price
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