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| CAS No.: | 5730-78-9 |
|---|---|
| Name: | 4'-AMINO-BIPHENYL-4-CARBOXYLIC ACID |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C13H11NO2 |
| Molecular Weight: | 213.236 |
| Synonyms: | 4-Biphenylcarboxylicacid, 4'-amino- (6CI,7CI,8CI);4-(p-Aminophenyl)benzoic acid;4'-Amino-4-biphenylcarboxylic acid;NSC 210547;p-(p-Aminophenyl)benzoic acid; |
| Density: | 1.257g/cm3 |
| Melting Point: | 227-236℃ |
| Boiling Point: | 421.1 °C at 760 mmHg |
| Flash Point: | 208.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 63.32000 |
| LogP: | 3.21520 |
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Specification
The [1,1'-Biphenyl]-4-carboxylicacid, 4'-amino-, with CAS registry number 5730-78-9, has the systematic name of 4'-aminobiphenyl-4-carboxylic acid. Besides this, it is also called 4'-Amino[1,1'-biphenyl]-4-carboxylic acid. And the chemical formula of this chemical is C13H11NO2.
Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 4'-amino-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/BCF (pH 5.5): 3.54; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 40.45; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 62.01 cm3; (14)Molar Volume: 169.5 cm3; (15)Polarizability: 24.58×10-24cm3; (16)Surface Tension: 58.3 dyne/cm; (17)Density: 1.257 g/cm3; (18)Flash Point: 208.5 °C; (19)Enthalpy of Vaporization: 71.17 kJ/mol; (20)Boiling Point: 421.1 °C at 760 mmHg; (21)Vapour Pressure: 7.61E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)c2ccc(N)cc2
(2)InChI: InChI=1/C13H11NO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,14H2,(H,15,16)
(3)InChIKey: ZSFKODANZQVHCK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H11NO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,14H2,(H,15,16)
(5)Std. InChIKey: ZSFKODANZQVHCK-UHFFFAOYSA-N