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Cas Database |
| Name |
Ethanone,1-(4'-amino[1,1'-biphenyl]-4-yl)- |
EINECS | N/A |
| CAS No. | 1141-39-5 | Density | 1.12 g/cm3 |
| PSA | 43.09000 | LogP | 3.71960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H13NO | Boiling Point | 371.9 °C at 760 mmHg |
| Molecular Weight | 211.263 | Flash Point | 178.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetophenone,4'-(p-aminophenyl)- (6CI,7CI,8CI);4-Acetyl-4'-aminobiphenyl;4'-Amino-4-biphenylyl methyl ketone;NSC 58062; |
Article Data | 11 |
Ethanone,1-(4'-amino[1,1'-biphenyl]-4-yl)- Specification
The Ethanone,1-(4'-amino[1,1'-biphenyl]-4-yl)-, with its CAS registry number 1141-39-5, has the systematic name of 1-(4'-aminobiphenyl-4-yl)ethanone. And it has the molecular formula of C14H13NO.
The characteristics of Ethanone,1-(4'-amino[1,1'-biphenyl]-4-yl)- are as follows: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 65.1 cm3; (9)Molar Volume: 188.5 cm3; (10)Polarizability: 25.81×10-24 cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 178.7 °C; (14)Enthalpy of Vaporization: 61.9 kJ/mol; (15)Boiling Point: 371.9 °C at 760 mmHg; (16)Vapour Pressure: 9.98E-06 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(c1ccc(cc1)c2ccc(N)cc2)C
(2)InChI:InChI=1/C14H13NO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,15H2,1H3
(3)InChIKey:UTEHCBNZRXNAQM-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C14H13NO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,15H2,1H3
(5)Std. InChIKey:UTEHCBNZRXNAQM-UHFFFAOYSA-N
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