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2401-64-1

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Basic Information
CAS No.: 2401-64-1
Name: 2-(N,N-DIETHYLAMINO)-4,6-DICHLOROTRIAZINE
Article Data: 34
Molecular Structure:
Molecular Structure of 2401-64-1 (2-(N,N-DIETHYLAMINO)-4,6-DICHLOROTRIAZINE)
Formula: C5H6Cl2N4
Molecular Weight: 193.0339
Synonyms: 2-(Dimethylamino)-4,6-dichloro-s-triazine;2,6-Dichloro-4-(dimethylamino)-1,3,5-triazine;2,4-Dichloro-6-(dimethylamino)-s-triazine;2,4-Dichloro-6-(dimethylamino)-1,3,5-triazine;4,6-Dichloro-2-(dimethylamino)-1,3,5-triazine;s-Triazine,2,4-dichloro-6-(dimethylamino)- (6CI,7CI,8CI);
Density: 1.473 g/cm3
Boiling Point: 344.314 °C at 760 mmHg
Flash Point: 162.036 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 41.91000
LogP: 1.24440
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Specification

The 1,3,5-Triazin-2-amine,4,6-dichloro-N,N-dimethyl-, with the CAS registry number 2401-64-1, is also known as 2,6-Dichloro-4-(dimethylamino)-1,3,5-triazine. This chemical's molecular formula is C5H6Cl2N4 and molecular weight is 193.03. What's more, both its IUPAC name and systematic name are the same which is called 4,6-Dichloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Physical properties about 1,3,5-Triazin-2-amine,4,6-dichloro-N,N-dimethyl- are: (1)ACD/LogP: 1.151; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.41; (6)ACD/BCF (pH 7.4): 4.41; (7)ACD/KOC (pH 5.5): 100.73; (8)ACD/KOC (pH 7.4): 100.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.91 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 44.63 cm3; (15)Molar Volume: 130.997 cm3; (16)Polarizability: 17.693×10-24cm3; (17)Surface Tension: 59.275 dyne/cm; (18)Density: 1.474 g/cm3; (19)Flash Point: 162.036 °C; (20)Enthalpy of Vaporization: 58.826 kJ/mol; (21)Boiling Point: 344.314 °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)N(C)C
(2) InChI: InChI=1S/C5H6Cl2N4/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3
(3) InChIKey: ITRGRVVBODKGCW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03984,