Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3'-Methoxy-biphenyl-3-ylamine |
EINECS | N/A |
CAS No. | 400748-70-1 | Density | 1.1 g/cm3 |
PSA | 35.25000 | LogP | 3.52560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H13NO | Boiling Point | 370.2 °C at 760 mmHg |
Molecular Weight | 199.25 | Flash Point | 190.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
TIMTEC-BB SBB007485;CHEMBRDG-BB 4005743;AKOS BAR-0119;3'-METHOXY[1,1'-BIPHENYL]-3-AMINE; |
Article Data | 11 |
The 3'-Methoxy-biphenyl-3-ylamine is an organic compound with the formula C13H13NO. The systematic name of this chemical is 3'-methoxybiphenyl-3-amine. With the CAS registry number 400748-70-1, it is also named as [1,1'-Biphenyl]-3-amine, 3'-methoxy-.
Physical properties about 3'-Methoxy-biphenyl-3-ylamine are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 25.17; (5)ACD/BCF (pH 7.4): 26.75; (6)ACD/KOC (pH 5.5): 344.11; (7)ACD/KOC (pH 7.4): 365.72; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 61.75 cm3; (14)Molar Volume: 181 cm3; (15)Polarizability: 24.48×10-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 190.6 °C; (19)Enthalpy of Vaporization: 61.71 kJ/mol; (20)Boiling Point: 370.2 °C at 760 mmHg; (21)Vapour Pressure: 1.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c2cc(c1cccc(N)c1)ccc2)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,14H2,1H3
(3)InChIKey: FTMWHDFYWZAJNW-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,14H2,1H3
(5)Std. InChIKey: FTMWHDFYWZAJNW-UHFFFAOYSA-N