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| CAS No.: | 159503-24-9 |
|---|---|
| Name: | 4'-AMINO-BIPHENYL-3-CARBOXYLIC ACID METHYL ESTER |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H13NO2 |
| Molecular Weight: | 227.263 |
| Synonyms: | 3'-Amino-[1,1'-biphenyl]-4-carboxylicacid methyl ester;3'-Aminobiphenyl-4-carboxylic acid methyl ester; |
| Density: | 1.166 g/cm3 |
| Boiling Point: | 411.779 °C at 760 mmHg |
| Flash Point: | 242.097 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 52.32000 |
| LogP: | 3.30360 |
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- Total:18 Page 1 of 1 1
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Specification
The [1,1'-Biphenyl]-4-carboxylicacid, 3'-amino-, methyl ester is an organic compound with the formula C14H13NO2. The IUPAC name of this chemical is Methyl 3'-aminobiphenyl-4-carboxylate. With the CAS registry number 159503-24-9, it is also named as 4'-Amino-biphenyl-3-carboxylic acid methyl ester. Besides, its molecular weight is 227.26.
Physical properties about [1,1'-Biphenyl]-4-carboxylicacid, 3'-amino-, methyl ester are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.81; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 79.38; (5)ACD/BCF (pH 7.4): 82.18; (6)ACD/KOC (pH 5.5): 789.03; (7)ACD/KOC (pH 7.4): 816.89; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 66.85 cm3; (14)Molar Volume: 194.8 cm3; (15)Polarizability: 26.5×10-24 cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.166 g/cm3; (18)Flash Point: 242.1 °C; (19)Enthalpy of Vaporization: 66.43 kJ/mol; (20)Boiling Point: 411.8 °C at 760 mmHg; (21)Vapour Pressure: 5.44E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H13NO2/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3
(2)InChIKey: VXTVRZIUOJSIIN-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C14H13NO2/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3
(4)Std. InChIKey: VXTVRZIUOJSIIN-UHFFFAOYSA-N