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Basic Information
CAS No.: 521064-34-6
Name: N-(4-Bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
Molecular Structure:
Molecular Structure of 521064-34-6 (N-(4-Bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine)
Formula: C16H13BrClN5
Molecular Weight: 390.66
Synonyms: CT 32228;
Density: 1.581 g/cm3
Boiling Point: 597.903 °C at 760 mmHg
Flash Point: 315.401 °C
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Specification

The 1,3,5-Triazine-2,4-diamine,N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-, with the CAS registry number 521064-34-6, is also known as CT 32228. This chemical's molecular formula is C16H13BrClN5 and molecular weight is 390.66. What's more, its systematic name is called N-(4-Bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Physical properties about 1,3,5-Triazine-2,4-diamine,N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)- are: (1)ACD/LogP: 5.726; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.72; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13078.32; (6)ACD/BCF (pH 7.4): 13236.05; (7)ACD/KOC (pH 5.5): 30670.24; (8)ACD/KOC (pH 7.4): 31040.15; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.72 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 96.139 cm3; (15)Molar Volume: 247.121 cm3; (16)Polarizability: 38.113×10-24cm3; (17)Surface Tension: 66.715 dyne/cm; (18)Density: 1.581 g/cm3; (19)Flash Point: 315.401 °C; (20)Enthalpy of Vaporization: 89.047 kJ/mol; (21)Boiling Point: 597.903 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3cc(c1nc(nc(n1)Nc2ccc(Br)cc2)N)c(cc3)C
(2) InChI: InChI=1S/C16H13BrClN5/c1-9-2-5-11(18)8-13(9)14-21-15(19)23-16(22-14)20-12-6-3-10(17)4-7-12/h2-8H,1H3,(H3,19,20,21,22,23)
(3) InChIKey: NUPGPJBRKLLVNK-UHFFFAOYSA-N