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CAS No.: | 3832-69-7 |
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Name: | N-(3-TRIFLUOROMETHYL-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE |
Molecular Structure: | |
Formula: | C10H8F3N5 |
Molecular Weight: | 255.202 |
Synonyms: | 1,3,5-Triazine-2,4-diamine,N-[3-(trifluoromethyl)phenyl]- (9CI);s-Triazine, 2-amino-4-(a,a,a-trifluoro-m-toluidino)-(6CI,8CI);N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;N-(3-Trifluoromethyl-phenyl)-[1,3,5]triazine-2,4-diamine; |
Density: | 1.492 g/cm3 |
Boiling Point: | 412 °C at 760 mmHg |
Flash Point: | 203 °C |
PSA: | 76.72000 |
LogP: | 2.87040 |
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The 1,3,5-Triazine-2,4-diamine,N2-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 3832-69-7, is also known as N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine. This chemical's molecular formula is C10H8F3N5 and molecular weight is 255.2. What's more, its systematic name is N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
Physical properties of 1,3,5-Triazine-2,4-diamine,N2-[3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.21; (6)ACD/BCF (pH 7.4): 4.26; (7)ACD/KOC (pH 5.5): 97.05; (8)ACD/KOC (pH 7.4): 98.26; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.15 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 59.11 cm3; (15)Molar Volume: 170.9 cm3; (16)Polarizability: 23.43×10-24 cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 66.46 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 5.35E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)c1cc(ccc1)Nc2ncnc(n2)N
(2)InChI: InChI=1/C10H8F3N5/c11-10(12,13)6-2-1-3-7(4-6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18)
(3)InChIKey: LVURQKNAXNXJLD-UHFFFAOYAF