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Name |
[1,1'-Biphenyl]-3-carboxylicacid, 2'-amino-, methyl ester |
EINECS | N/A |
CAS No. | 177171-13-0 | Density | 1.166 g/cm3 |
PSA | 52.32000 | LogP | 3.30360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H13NO2 | Boiling Point | 390.7 °C at 760 mmHg |
Molecular Weight | 227.263 | Flash Point | 226.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2'-Aminobiphenyl-3-carboxylicacid methyl ester; |
Article Data | 3 |
This chemical is called [1,1'-Biphenyl]-3-carboxylicacid, 2'-amino-, methyl ester, and its systematic name is Methyl 2'-aminobiphenyl-3-carboxylate. With the molecular formula of C14H13NO2, its molecular weight is 227.26. The CAS registry number of the chemical is 177171-13-0.
Other characteristics of [1,1'-Biphenyl]-3-carboxylicacid, 2'-amino-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.28; (6)ACD/BCF (pH 7.4): 99.95; (7)ACD/KOC (pH 5.5): 933.49; (8)ACD/KOC (pH 7.4): 939.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 66.85 cm3; (15)Molar Volume: 194.8 cm3; (16)Polarizability: 26.5×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 226.3 °C; (20)Enthalpy of Vaporization: 64.02 kJ/mol; (21)Boiling Point: 390.7 °C at 760 mmHg; (22)Vapour Pressure: 2.61E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(ccc1)c2ccccc2N
2.InChI: InChI=1/C14H13NO2/c1-17-14(16)11-6-4-5-10(9-11)12-7-2-3-8-13(12)15/h2-9H,15H2,1H3
3.InChIKey: NCMXOIMDAQPPLW-UHFFFAOYAN
4.Std. InChI: InChI=1S/C14H13NO2/c1-17-14(16)11-6-4-5-10(9-11)12-7-2-3-8-13(12)15/h2-9H,15H2,1H3
5.Std. InChIKey: NCMXOIMDAQPPLW-UHFFFAOYSA-N