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42164-54-5

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Basic Information
CAS No.: 42164-54-5
Name: N1,1-Diphenyl-1,2-ethanediamine
Article Data: 8
Molecular Structure:
Molecular Structure of 42164-54-5 (N1,1-Diphenyl-1,2-ethanediamine)
Formula: C14H16N2
Molecular Weight: 212.294
Synonyms: N1,1-Diphenyl-1,2-ethanediamine
Density: 1.114 g/cm3
Boiling Point: 368.3 °C at 760 mmHg
Flash Point: 207.886 °C
PSA: 38.05000
LogP: 3.57180
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    Molecular Formula C14H16N2 Molecular Weight 212.29 CAS Registry Number 42164-54-5 NameN1,1-Diphenyl-1,2-ethanediamineMolec…

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Specification

The 1, 2-Ethanediamine, N1, 1-diphenyl-, with the CAS registry number of 42164-54-5, is also known as N-(2-Amino-1-phenylethyl)benzenamine. This chemical's molecular formula is C14H16N2 and molecular weight is 212.29. What's more, its systematic name is called N~1~, 1-Diphenylethane-1, 2-diamine.

Physical properties about 1, 2-Ethanediamine, N1, 1-diphenyl- are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 118; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 68.521 cm3; (15)Molar Volume: 190.524 cm3; (16)Surface Tension: 49.67 dyne/cm; (17)Density: 1.114 g/cm3; (18)Flash Point: 207.886 °C; (19)Enthalpy of Vaporization: 61.494 kJ/mol; (20)Boiling Point: 368.3 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(c1ccccc1)C(c2ccccc2)CN
(2) InChI: InChI=1/C14H16N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14,16H,11,15H2
(3) InChIKey: XDJPCFMMGYZWIQ-UHFFFAOYAJ