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| CAS No.: | 897671-69-1 |
|---|---|
| Name: | N-(4-biphenyl)-(9,9-dimethylfluoren-2--yl)Amine |
| Article Data: | 51 |
| Molecular Structure: | |
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| Formula: | C27H23N |
| Molecular Weight: | 361.486 |
| Synonyms: | 9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine |
| EINECS: | 807-964-9 |
| Density: | 1.136 g/cm3 |
| Melting Point: | 145.0 to 149.0 °C |
| Boiling Point: | 539.6 °C at 760 mmHg |
| Flash Point: | 302.2 °C |
| PSA: | 12.03000 |
| LogP: | 7.47650 |
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Specification
The 9H-Fluoren-2-amine, N-[1,1'-biphenyl]-4-yl-9,9-dimethyl, with the CAS registry number 897671-69-1, has the molecular formula C27H23N. In addition, its molecular weight is 361.4782. Its systematic name is called N-biphenyl-4-yl-9,9-dimethyl-9H-fluoren-2-amine.
Physical properties of 9H-Fluoren-2-amine, N-[1,1'-biphenyl]-4-yl-9,9-dimethyl: (1)ACD/LogP: 8.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8.01; (5)ACD/BCF (pH 5.5): 720334; (6)ACD/BCF (pH 7.4): 720352.25; (7)ACD/KOC (pH 5.5): 542487.56; (8)ACD/KOC (pH 7.4): 542501.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 117.08 cm3; (14)Molar Volume: 318 cm3; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.136 g/cm3; (17)Flash Point: 302.2 °C; (18)Enthalpy of Vaporization: 81.7 kJ/mol; (19)Boiling Point: 539.6 °C at 760 mmHg; (20)Vapour Pressure: 1.04E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC5(C)c1ccccc1c4ccc(Nc2ccc(cc2)c3ccccc3)cc45
(2)InChI: InChI=1/C27H23N/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-18,28H,1-2H3
(3)InChIKey: QRMLAMCEPKEKHS-UHFFFAOYAV