CAS No.177171-13-0,2'-AMINO-BIPHENYL-3-CARBOXYLIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	177171-13-0
Name:	2'-AMINO-BIPHENYL-3-CARBOXYLIC ACID METHYL ESTER
Article Data:	3

Formula:	C₁₄H₁₃NO₂
Molecular Weight:	227.263
Synonyms:	2'-Aminobiphenyl-3-carboxylicacid methyl ester;
Density:	1.166 g/cm³
Boiling Point:	390.7 °C at 760 mmHg
Flash Point:	226.3 °C
Hazard Symbols:	Xi
PSA:	52.32000
LogP:	3.30360

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Specification

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