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5730-76-7

Basic Information
CAS No.: 5730-76-7
Name: METHYL 4'-AMINO[1,1'-BIPHENYL]-4-CARBOXYLATE
Article Data: 8
Molecular Structure:
Molecular Structure of 5730-76-7 (METHYL 4'-AMINO[1,1'-BIPHENYL]-4-CARBOXYLATE)
Formula: C14H13NO2
Molecular Weight: 227.263
Synonyms: Methyl 4'-aminobiphenyl-4-carboxylate;4'-Aminobiphenyl-4-carboxylic acidmethyl ester;Methyl4'-amino-4-biphenylcarboxylate;
Density: 1.166 g/cm3
Melting Point: 179-182°C
Boiling Point: 382.5 °C at 760 mmHg
Flash Point: 220.2 °C
Hazard Symbols: IrritantXi
PSA: 52.32000
LogP: 3.30360
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  • METHYL 4'-AMINO-[1,1'-BIPHENYL]-4-CARBOXYLATE  CAS NO.5730-76-7

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Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 4'-amino-, methyl ester, with the CAS registry number 5730-76-7, is also known as Methyl 4'-aminobiphenyl-4-carboxylate. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C14H13NO2 and molecular weight is 227.26. What's more, its systematic name is methyl 4'-aminobiphenyl-4-carboxylate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 4'-amino-, methyl ester are: (1)ACD/LogP:3.18; (2)# of Rule of 5 Violations:0 ; (3)#H bond acceptors:3; (4)#H bond donors:2; (5)#Freely Rotating Bonds:4; (6)Polar Surface Area:29.54 Å2; (7)Index of Refraction:1.602; (8)Molar Refractivity:66.85 cm3; (9)Molar Volume:194.8 cm3; (10)Polarizability:26.5×10-24cm3; (11)Surface Tension:47.3 dyne/cm; (12)Density:1.166 g/cm3; (13)Flash Point:220.2 °C; (14)Enthalpy of Vaporization:63.1 kJ/mol; (15)Boiling Point:382.5 °C at 760 mmHg; (16)Vapour Pressure:4.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)c2ccc(N)cc2
(2)Std. InChI: InChI=1S/C14H13NO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,15H2,1H3
(3)Std. InChIKey: KKPVZEJEFMQVSQ-UHFFFAOYSA-N