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81316-68-9

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Basic Information
CAS No.: 81316-68-9
Name: 4-PYRIMIDINAMINE, 2,6-DICHLORO-5-ETHYL-
Molecular Structure:
Molecular Structure of 81316-68-9 (4-PYRIMIDINAMINE, 2,6-DICHLORO-5-ETHYL-)
Formula: C6H7Cl2N3
Molecular Weight: 192.048
Synonyms: Pyrimidine, 4-amino-2, 6-dichloro-5-ethyl-;
Density: 1.424 g/cm3
Boiling Point: 328.859 °C at 760 mmHg
Flash Point: 152.688 °C
PSA: 52.53000
LogP: 1.85810
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Specification

The 4-Pyrimidinamine, 2, 6-dichloro-5-ethyl-, with the CAS registry number 81316-68-9, is also known as Pyrimidine, 4-amino-2, 6-dichloro-5-ethyl-. This chemical's molecular formula is C6H7Cl2N3 and molecular weight is 192.048. What's more, its systematic name is 2, 6-Dichloro-5-ethyl-pyrimidin-4-amine. 

Physical properties about 4-Pyrimidinamine, 2, 6-dichloro-5-ethyl- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.639; (4)ACD/LogD (pH 7.4): 1.639; (5)ACD/BCF (pH 5.5): 10.373; (6)ACD/BCF (pH 7.4): 10.373; (7)ACD/KOC (pH 5.5): 185.697; (8)ACD/KOC (pH 7.4): 185.697; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 46.011 cm3; (15)Molar Volume: 134.88 cm3; (16)Polarizability: 18.24×10-24 cm3; (17)Surface Tension: 56.465 dyne/cm; (18)Density: 1.424 g/cm3; (19)Flash Point: 152.688 °C; (20)Enthalpy of Vaporization: 57.129 kJ/mol; (21)Boiling Point: 328.859 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1c(nc(nc1Cl)Cl)N
(2) InChI: InChI=1/C6H7Cl2N3/c1-2-3-4(7)10-6(8)11-5(3)9/h2H2,1H3,(H2,9,10,11)
(3) InChIKey: RDMVIDXBBQUGAE-UHFFFAOYAC