CAS No.824414-16-6,2'-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	824414-16-6
Name:	2'-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE

Formula:	C₁₃H₁₄ClNO
Molecular Weight:	235.71
Synonyms:	[1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (9CI);
Boiling Point:	344.8 °C at 760 mmHg
Flash Point:	162.3 °C
Hazard Symbols:	Xi
PSA:	35.25000
LogP:	4.32760

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Specification

The [1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (1:1), with the CAS registry number 824414-16-6, is also known as 2'-Methoxy-[1,1'-biphenyl]-4-amine hydrochloride. It belongs to the product category of Amines and Anilines. This chemical's molecular formula is C₁₃H₁₄ClNO and molecular weight is 235.71. What's more, both its IUPAC name and systematic name are the same which is called 4-(2-Methoxyphenyl)aniline hydrochloride. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about [1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (1:1) are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.43; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 35.25 Å²; (9)Flash Point: 162.3 °C; (10)Enthalpy of Vaporization: 60.04 kJ/mol; (11)Boiling Point: 344.8 °C at 760 mmHg; (12)Vapour Pressure: 4.55E-05 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1) SMILES: COc2ccccc2c1ccc(N)cc1.Cl
(2) InChI: InChI=1/C13H13NO.ClH/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10;/h2-9H,14H2,1H3;1H
(3) InChIKey: BGCLWXKDAGQQTG-UHFFFAOYAO