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3-Phenyl-4-anisidine (56970-26-4)

Identification
Name:3-Phenyl-4-anisidine
Synonyms:4-Methoxy-3-phenylaniline; 6-Methoxy[1,1'-biphenyl]-3-amine
CAS:56970-26-4
Molecular Formula: C13H13NO
Molecular Weight: 199.25
InChI: InChI=1/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
Molecular Structure: (C13H13NO) 4-Methoxy-3-phenylaniline; 6-Methoxy[1,1'-biphenyl]-3-amine
Properties
Flash Point: 166.2°C
Boiling Point: 340.1°C at 760 mmHg
Density:1.1g/cm3
Refractive index:1.598
Specification:

This chemical is called 3-Phenyl-4-anisidine, and its systematic name is 6-methoxybiphenyl-3-amine. With molecular formula of C13H13NO, its molecular weight is 199.25. In addition, the CAS registry number of this chemical is 56970-26-4. 

Other characteristics of the 3-Phenyl-4-anisidine can be summarised as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 14.6; (6)ACD/BCF (pH 7.4): 18.56; (7)ACD/KOC (pH 5.5): 221.34; (8)ACD/KOC (pH 7.4): 281.33; (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: 166.2 °C; (20)Enthalpy of Vaporization: 58.37 kJ/mol; (21)Boiling Point: 340.1 °C at 760 mmHg; (22)Vapour Pressure: 8.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O(c2ccc(cc2c1ccccc1)N)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(3)InChIKey: OFBRKDXLBOTZNB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
(5)Std. InChIKey: OFBRKDXLBOTZNB-UHFFFAOYSA-N

Flash Point: 166.2°C
Safety Data
 

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