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CAS No.: | 37623-51-1 |
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Name: | 6-pentadecyl-1,3,5-triazine-2,4-diamine |
Molecular Structure: | |
Formula: | C18H35N5 |
Molecular Weight: | 321.509 |
Synonyms: | s-Triazine,2,4-diamino-6-pentadecyl-; |
EINECS: | 253-571-5 |
Density: | 1.001 g/cm3 |
Boiling Point: | 515.844 °C at 760 mmHg |
Flash Point: | 298.619 °C |
PSA: | 92.17000 |
LogP: | 4.52990 |
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The 1,3,5-Triazine-2,4-diamine,6-pentadecyl- is an organic compound with the formula C18H35N5. With the CAS registry number 37623-51-1, the systematic name of this chemical is 6-pentadecyl-1,3,5-triazine-2,4-diamine.
Physical properties about 1,3,5-Triazine-2,4-diamine,6-pentadecyl- are: (1)ACD/LogP: 8.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 108716; (6)ACD/BCF (pH 7.4): 133417; (7)ACD/KOC (pH 5.5): 132107; (8)ACD/KOC (pH 7.4): 162123; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 90.71 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 98.775 cm3; (15)Molar Volume: 321.07 cm3; (16)Polarizability: 39.158×10-24cm3; (17)Surface Tension: 45.784 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 298.619 °C; (20)Enthalpy of Vaporization: 78.78 kJ/mol; (21)Boiling Point: 515.844 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc(nc1CCCCCCCCCCCCCCC)N)N
(2)InChI: InChI=1/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)
(3)InChIKey: JZSZJXLPSQTWSS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)
(5)Std. InChIKey: JZSZJXLPSQTWSS-UHFFFAOYSA-N