The 1,3,5-Triazin-2-amine,4,6-dichloro-N-ethyl-, with the CAS registry number 3440-19-5, is also known as 4,6-Dichloro-N-ethyl-1,3,5-triazin-2-amine. This chemical's molecular formula is C5H6Cl2N4 and molecular weight is 193.03. What's more, its IUPAC name is called 4,6-Dichloro-N-ethyl-1,3,5-triazin-2-amine.
Physical properties about 1,3,5-Triazin-2-amine,4,6-dichloro-N-ethyl- are: (1)ACD/LogP: 2.158; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.72; (6)ACD/BCF (pH 7.4): 25.72; (7)ACD/KOC (pH 5.5): 355.71; (8)ACD/KOC (pH 7.4): 355.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.7 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 44.559 cm3; (15)Molar Volume: 128.969 cm3; (16)Polarizability: 17.665×10-24cm3; (17)Surface Tension: 60.798 dyne/cm; (18)Density: 1.497 g/cm3; (19)Flash Point: 173.159 °C; (20)Enthalpy of Vaporization: 60.868 kJ/mol; (21)Boiling Point: 362.707 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(nc(Cl)n1)NCC
(2) InChI: InChI=1S/C5H6Cl2N4/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H,8,9,10,11)
(3) InChIKey: ACAHVXOSWOUZAB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0544962, |
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View