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CAS No.: | 263901-48-0 |
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Name: | 2'-Methoxy[1,1'-biphenyl]-4-amine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | [1,1'-Biphenyl]-4-amine, 2'-methoxy-; |
Density: | 1.1 g/cm3 |
Boiling Point: | 312.2 °C at 760 mmHg |
Flash Point: | 143.4 °C |
PSA: | 35.25000 |
LogP: | 3.52560 |
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The 2'-Methoxy[1,1'-biphenyl]-4-amine, with the CAS registry number of 263901-48-0, is also known as [1,1'-Biphenyl]-4-amine, 2'-methoxy-. Its molecular formula is C13H13NO and molecular weight is 199.25. What's more, its systematic name is 2'-Methoxybiphenyl-4-amine.
Physical properties about the 2'-Methoxy[1,1'-biphenyl]-4-amine 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)ACD/BCF (pH 5.5): 38.85; (6)ACD/BCF (pH 7.4): 41.68; (7)ACD/KOC (pH 5.5): 468.33; (8)ACD/KOC (pH 7.4): 502.41; (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)Surface Tension: 42.8 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 143.4 °C; (19)Enthalpy of Vaporization: 55.31 kJ/mol; (20)Boiling Point: 312.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000539 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c2ccccc2c1ccc(N)cc1)C
(2) InChI: InChI=1/C13H13NO/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9H,14H2,1H3
(3) InChIKey: VPUUSIRSYXBBJA-UHFFFAOYAW