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[1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (1:1)

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Name

[1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (1:1)

EINECS N/A
CAS No. 824414-16-6 Density N/A
PSA 35.25000 LogP 4.32760
Solubility N/A Melting Point N/A
Formula C13H14ClNO Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 235.71 Flash Point 162.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 824414-16-6 (2'-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

[1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (9CI);

 

[1,1'-Biphenyl]-4-amine,2'-methoxy-, hydrochloride (1:1) 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

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