Name: 6-CHLORO-N4,N4-DIETHYLPYRIMIDINE-2,4-DIAMINE
SKU: 116895-09-1

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Basic Information

Molecular Structure:
CAS No.:	116895-09-1
Name:	6-CHLORO-N4,N4-DIETHYLPYRIMIDINE-2,4-DIAMINE
Article Data:	4

Formula:	C₈H₁₃ClN₄
Molecular Weight:	200.67
Synonyms:	2-Amino-4-diethylamino-6-chloropyrimidine;2-Amino-4-chloro-6-diethylaminopyrimidine;6-Chloro-N4,N4-diethyl-N4,N4-diethyl-diethylpyrimidine-2,4-diamine;
Density:	1.245 g/cm³
Boiling Point:	395.4 °C at 760 mmHg
Flash Point:	192.9 °C
PSA:	55.04000
LogP:	2.13960

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Specification

The 2,4-Pyrimidinediamine,6-chloro-N4,N4-diethyl-, with the CAS registry number 116895-09-1, is also known as 2-Amino-4-chloro-6-diethylaminopyrimidine. This chemical's molecular formula is C₈H₁₃ClN₄ and molecular weight is 200.67. What's more, its systematic name is 6-chloro-N4,N4-diethylpyrimidine-2,4-diamine. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 2,4-Pyrimidinediamine,6-chloro-N4,N4-diethyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 69.61; (6)ACD/BCF (pH 7.4): 96.87; (7)ACD/KOC (pH 5.5): 659.49; (8)ACD/KOC (pH 7.4): 917.71; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 55.14 cm³; (15)Molar Volume: 161.1 cm³; (16)Polarizability: 21.86×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 192.9 °C; (20)Enthalpy of Vaporization: 64.55 kJ/mol; (21)Boiling Point: 395.4 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(N(CC)CC)c1)N
(2)InChI: InChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
(3)InChIKey: JZPXSIGRVGTURL-UHFFFAOYSA-N