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4316-53-4

Basic Information
CAS No.: 4316-53-4
Name: 4-Methyltriphenylamine
Article Data: 83
Molecular Structure:
Molecular Structure of 4316-53-4 (4-Methyltriphenylamine)
Formula: C19H17N
Molecular Weight: 259.351
Synonyms: (4-Methylphenyl)diphenylamine;4-Methyl-N,N-diphenylaniline;4-Methyl-N,N-diphenylbenzenamine;N-(4-Methylphenyl)-N,N-diphenylamine;
EINECS: 677-549-3
Density: 1.095 g/cm3
Melting Point: 67 °C
Boiling Point: 393.8 °C at 760 mmHg
Flash Point: 171.8 °C
PSA: 3.24000
LogP: 5.46480
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Specification

The 4-Methyltriphenylamine with CAS registry number of 4316-53-4 is also known as N-(4-Methylphenyl)-N,N-diphenylamine. The systematic name is 4-Methyl-N,N-diphenylaniline. It belongs to product categories of Electronic; Acid Anhydrides, etc. (Reagents for Conducting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research. In addition, the formula is C19H17N and the molecular weight is 259.35. This chemical is stable at room temperature and it should be sealed in a ventilated and dry place.

Physical properties about 4-Methyltriphenylamine are: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30342.87; (6)ACD/BCF (pH 7.4): 30342.87; (7)ACD/KOC (pH 5.5): 56213.45; (8)ACD/KOC (pH 7.4): 56213.45; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3 ; (11)Index of Refraction: 1.636; (12)Molar Refractivity: 84.92 cm3; (13)Molar Volume: 236.8 cm3; (14)Surface Tension: 45.6 dyne/cm; (15)Density: 1.094 g/cm3; (16)Flash Point: 171.8 °C; (17)Enthalpy of Vaporization: 64.37 kJ/mol; (18)Boiling Point: 393.8 °C at 760 mmHg; (19)Vapour Pressure: 2.08E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: c3c(N(c1ccccc1)c2ccc(cc2)C)cccc3
2. InChI: InChI=1/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
3. InChIKey: IULUNTXBHHKFFR-UHFFFAOYAT
4. Std. InChI: InChI=1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
5. Std. InChIKey: IULUNTXBHHKFFR-UHFFFAOYSA-N