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2,4-Diamino-6-nonyl-1,3,5-triazine

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Name

2,4-Diamino-6-nonyl-1,3,5-triazine

EINECS 227-645-2
CAS No. 5921-65-3 Density 1.068 g/cm3
PSA 90.71000 LogP 3.49150
Solubility 7.317mg/L at 25℃ Melting Point N/A
Formula C12H23N5 Boiling Point 453.9 °C at 760 mmHg
Molecular Weight 237.348 Flash Point 259 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5921-65-3 (2,4-DIAMINO-6-NONYL-1,3,5-TRIAZINE) Hazard Symbols N/A
Synonyms

s-Triazine,2,4-diamino-6-nonyl- (7CI,8CI);2,4-Diamino-6-nonyl-s-triazine;2,6-Diamino-4-nonyl-1,3,5-triazine;6-Nonyl-1,3,5-triazine-2,4-diamine;6-Nonylguanamine;Caprinoguanamine;

 

2,4-Diamino-6-nonyl-1,3,5-triazine Specification

The 2,4-Diamino-6-nonyl-1,3,5-triazine is an organic compound with the formula C12H23N5. The IUPAC name of this chemical is 6-nonyl-1,3,5-triazine-2,4-diamine. With the CAS registry number 5921-65-3, it is also named as 1,3,5-triazine-2,4-diamine, 6-nonyl-.

Physical properties about 2,4-Diamino-6-nonyl-1,3,5-triazine are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.77; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 408.81; (5)ACD/BCF (pH 7.4): 503.76; (6)ACD/KOC (pH 5.5): 2425.41; (7)ACD/KOC (pH 7.4): 2988.76; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 45.15 Å2; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 70.97 cm3; (14)Molar Volume: 222 cm3; (15)Polarizability: 28.13×10-24cm3; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.068 g/cm3; (18)Flash Point: 259 °C; (19)Enthalpy of Vaporization: 71.33 kJ/mol; (20)Boiling Point: 453.9 °C at 760 mmHg; (21)Vapour Pressure: 2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc(nc1CCCCCCCCC)N)N
(2)InChI: InChI=1/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)
(3)InChIKey: BDPPZSFVSOBOIX-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)
(5)Std. InChIKey: BDPPZSFVSOBOIX-UHFFFAOYSA-N

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