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CAS No.: | 606-87-1 |
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Name: | BENZYL-DIPHENYL-AMINE |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C19H17N |
Molecular Weight: | 259.351 |
Synonyms: | Benzylamine,N,N-diphenyl- (6CI,8CI);Benzyldiphenylamine;Diphenylbenzylamine;N,N-Diphenylbenzenemethanamine;N,N-Diphenylbenzylamine;N-Benzyl-N-phenylaniline;N-Benzyldiphenylamine; |
EINECS: | 210-127-5 |
Density: | 1.104 g/cm3 |
Melting Point: | 88-89℃ (ethanol ) |
Boiling Point: | 409.2 °C at 760 mmHg |
Flash Point: | 179.4 °C |
PSA: | 3.24000 |
LogP: | 5.02490 |
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This chemical is called Benzyldiphenylamine, and its IUPAC name is N-benzyl-N-phenylaniline. With the molecular formula of C19H17N, its molecular weight is 259.34. The CAS registry number of this chemical is 606-87-1.
Other characteristics of the Benzyldiphenylamine can be summarised as followings: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9500.83; (6)ACD/BCF (pH 7.4): 9500.92; (7)ACD/KOC (pH 5.5): 24483.34; (8)ACD/KOC (pH 7.4): 24483.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 84.81 cm3; (15)Molar Volume: 234.7 cm3; (16)Polarizability: 33.62×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 66.13 kJ/mol; (21)Boiling Point: 409.2 °C at 760 mmHg; (22)Vapour Pressure: 6.61E-07 mmHg at 25°C.
Production method of this chemical: The Benzyldiphenylamine could be obtained by the reactants of chloromethyl-benzene and diphenylamine. This reaction needs the reagent of CsF*Celite, and the solvent of acetonitrile. The yield is 70 %. In addition, this reaction should be taken for 2 days. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: c1(ccccc1)CN(c2ccccc2)c3ccccc3
2.InChI: InChI=1/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
3.InChIKey:FKJARBPQBIATJT-UHFFFAOYAC