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3440-19-5

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Basic Information
CAS No.: 3440-19-5
Name: Etatryn
Article Data: 21
Molecular Structure:
Molecular Structure of 3440-19-5 (Etatryn)
Formula: C5H6Cl2N4
Molecular Weight: 193.035
Synonyms: s-Triazine,2,4-dichloro-6-(ethylamino)- (6CI,7CI,8CI);(N-Ethylamino)dichloro-s-triazine;2,4-Dichloro-6-(ethylamino)-1,3,5-triazine;2,4-Dichloro-6-(ethylamino)-s-triazine;2,6-Dichloro-4-(ethylamino)-s-triazine;2-(Ethylamino)-4,6-dichloro-1,3,5-triazine;2-(Ethylamino)-4,6-dichloro-s-triazine;Etatryn;
Density: 1.496 g/cm3
Melting Point: 108.5-109 °C(Solv: ligroine (8032-32-4))
Boiling Point: 362.707 °C at 760 mmHg
Flash Point: 173.159 °C
PSA: 50.70000
LogP: 1.68320
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Specification

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,