CAS No.1137-77-5,4'-METHOXY-BIPHENYL-4-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1137-77-5
Name:	4'-METHOXY-BIPHENYL-4-YLAMINE
Article Data:	4

Formula:	C₁₃H₁₃NO
Molecular Weight:	199.252
Synonyms:	4-Biphenylamine,4'-methoxy- (6CI,8CI);(4'-Methoxybiphenyl-4-yl)amine;4-Amino-4'-methoxybiphenyl;4'-Methoxy-4-biphenylamine;
Density:	1.1 g/cm³
Melting Point:	146.5-147 °C
Boiling Point:	347.1 °C at 760 mmHg
Flash Point:	171.9 °C
Hazard Symbols:	C；Xi
Risk Codes:	41
Safety:	26-39
PSA:	35.25000
LogP:	3.52560

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Specification

The [1,1'-Biphenyl]-4-amine,4'-methoxy-, with its CAS registry number 1137-77-5, has the systematic name of 4'-methoxybiphenyl-4-amine. And it has the molecular formula of C₁₃H₁₃NO and molecular weight of 199.25. Besides, this chemical is irritant which may cause inflammation to the skin or other mucous membranes, and it is also corrosive which may destroy living tissue on contact.

The characteristics of [1,1'-Biphenyl]-4-amine,4'-methoxy- are as follows: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 51.56; (6)ACD/BCF (pH 7.4): 54.21; (7)ACD/KOC (pH 5.5): 576.81; (8)ACD/KOC (pH 7.4): 606.42; (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: 171.9 °C; (20)Enthalpy of Vaporization: 59.14 kJ/mol; (21)Boiling Point: 347.1 °C at 760 mmHg; (22)Vapour Pressure: 5.49E-05 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O(c2ccc(c1ccc(N)cc1)cc2)C
(2)InChI:InChI=1/C13H13NO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,14H2,1H3
(3)InChIKey:WGURSKWDHNBQAD-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C13H13NO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,14H2,1H3
(5)Std. InChIKey:WGURSKWDHNBQAD-UHFFFAOYSA-N