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CAS No.: | 207287-79-4 |
---|---|
Name: | 3'-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | 4-Amino-3'-methoxybiphenyl; |
Density: | 1.1 g/cm3 |
Boiling Point: | 340.3 °C at 760 mmHg |
Flash Point: | 166.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 35.25000 |
LogP: | 4.32760 |
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The [1,1'-Biphenyl]-4-amine,3'-methoxy-, with CAS registry number 207287-79-4, has the systematic name of 3'-methoxybiphenyl-4-amine. Besides this, it is also called 4-(3-methoxyphenyl)phenylamine. And the chemical formula of this chemical is C13H13NO.
Physical properties of [1,1'-Biphenyl]-4-amine,3'-methoxy-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 46.59; (6)ACD/BCF (pH 7.4): 49.66; (7)ACD/KOC (pH 5.5): 534.32; (8)ACD/KOC (pH 7.4): 569.5; (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: 166.3 °C; (20)Enthalpy of Vaporization: 58.39 kJ/mol; (21)Boiling Point: 340.3 °C at 760 mmHg; (22)Vapour Pressure: 8.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c2cc(c1ccc(N)cc1)ccc2)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,14H2,1H3
(3)InChIKey: OSWFIVFLDKOXQC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,14H2,1H3
(5)Std. InChIKey: OSWFIVFLDKOXQC-UHFFFAOYSA-N