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CAS No.: | 38089-03-1 |
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Name: | 4'-METHOXY-BIPHENYL-2-YLAMINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | 2-Amino-4'-methoxybiphenyl;4'-Methoxy-2-aminobiphenyl;4'-Methoxybiphenyl-2-ylamine;4'-Methoxybiphenyl-2-amine;2-(4-methoxyphenyl)phenylamine;4'-methoxy-[1,1'-biphenyl]-2-amine; |
Density: | 1.1 g/cm3 |
Melting Point: | 36 °C |
Boiling Point: | 344.3 °C at 760 mmHg |
Flash Point: | 169.5 °C |
Hazard Symbols: | Xi |
PSA: | 35.25000 |
LogP: | 3.52560 |
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This chemical is called [1,1'-Biphenyl]-2-amine,4'-methoxy-, and it can also be named as 4'-Methoxy-biphenyl-2-ylamine. With the molecular formula of C13H13NO, its molecular weight is 199.25. The CAS registry number of this chemical is 38089-03-1, and its systematic name is 4'-Methoxybiphenyl-2-amine.
Other characteristics of the [1,1'-Biphenyl]-2-amine,4'-methoxy- can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.2; (6)ACD/BCF (pH 7.4): 46.5; (7)ACD/KOC (pH 5.5): 539.96; (8)ACD/KOC (pH 7.4): 543.44; (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: 24.48×10-24 cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 169.5 °C; (20)Enthalpy of Vaporization: 58.82 kJ/mol; (21)Boiling Point: 344.3 °C at 760 mmHg; (22)Vapour Pressure: 6.65E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c2ccc(c1ccccc1N)cc2)C
2.InChI: InChI=1/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
3.InChIKey: AUUXOXVQBXLAKY-UHFFFAOYAH