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[1,1'-Biphenyl]-3-amine,4'-methoxy-

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Name

[1,1'-Biphenyl]-3-amine,4'-methoxy-

EINECS N/A
CAS No. 53059-28-2 Density 1.1g/cm3
PSA 35.25000 LogP 3.52560
Solubility N/A Melting Point N/A
Formula C13H13NO Boiling Point 377.5 °C at 760 mmHg
Molecular Weight 199.252 Flash Point 196.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53059-28-2 (4'-METHOXYBIPHENYL-3-YLAMINE) Hazard Symbols IrritantXi
Synonyms

CHEMBRDG-BB 4102406;4-METHOXY[1,1-BIPHENYL]-3-AMINE;4-METHOXYBIPHENYL-3-YLAMINE;AKOS BAR-0120;4-Methoxy[1,1-biphenyl]-3-amine hydrochloride;(4-methoxybiphenyl-3-yl)amine(SALTDATA: HCl);3-Amino-4-methoxybiphenyl hydrochloride;(4-methoxybiphenyl-3-yl)amine 1HCl

Article Data 16

[1,1'-Biphenyl]-3-amine,4'-methoxy- Specification

The [1,1'-Biphenyl]-3-amine,4'-methoxy-, with CAS registry number 53059-28-2, has the systematic name of 4'-methoxybiphenyl-3-amine. Besides this, it is also called 4'-Methoxy[1,1'-biphenyl]-3-amine hydrochloride. And the chemical formula of this chemical is C13H13NO.

Physical properties of [1,1'-Biphenyl]-3-amine,4'-methoxy-: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 27.51; (6)ACD/BCF (pH 7.4): 29.19; (7)ACD/KOC (pH 5.5): 366.89; (8)ACD/KOC (pH 7.4): 389.36; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 24.48×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 196.5 °C; (20)Enthalpy of Vaporization: 62.52 kJ/mol; (21)Boiling Point: 377.5 °C at 760 mmHg; (22)Vapour Pressure: 6.74E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(c1cccc(N)c1)cc2)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,14H2,1H3
(3)InChIKey: ADYLUNBVPYENDY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,14H2,1H3
(5)Std. InChIKey: ADYLUNBVPYENDY-UHFFFAOYSA-N

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