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Basic Information
CAS No.: 66131-68-8
Name: 4-Pyrimidinamine, 2-chloro-N-methyl- (9CI)
Molecular Structure:
Molecular Structure of 66131-68-8 (4-Pyrimidinamine, 2-chloro-N-methyl- (9CI))
Formula: C5H6ClN3
Molecular Weight: 143.576
Synonyms: Pyrimidine,2-chloro-4-(methylamino)- (7CI);(2-Chloropyrimidin-4-yl)methylamine;2-Chloro-4-(methylamino)pyrimidine;N-(2-Chloropyrimidin-4-yl)-N-methylamine;
EINECS: 604-604-1
Density: 1.338 g/cm3
Boiling Point: 317.228 °C at 760 mmHg
Flash Point: 145.655 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41-43
Safety: 26-36/37-39
PSA: 37.81000
LogP: 1.24470
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Specification

The 4-Pyrimidinamine,2-chloro-N-methyl-, with the CAS registry number 66131-68-8, is also known as (2-Chloropyrimidin-4-yl)methylamine. It belongs to the product categories of Pyrimidine; Amines; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C5H6ClN3 and molecular weight is 143.57424. Its systematic name is called 2-chloro-N-methylpyrimidin-4-amine.

Physical properties of 4-Pyrimidinamine,2-chloro-N-methyl-: (1)ACD/LogP: 1.01; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17; (5)ACD/KOC (pH 7.4): 17; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Index of Refraction: 1.605; (9)Molar Refractivity: 36.94 cm3; (10)Molar Volume: 107.288 cm3; (11)Surface Tension: 53.624 dyne/cm; (12)Density: 1.338 g/cm3; (13)Flash Point: 145.655 °C; (14)Enthalpy of Vaporization: 55.862 kJ/mol; (15)Boiling Point: 317.228 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNc1ccnc(Cl)n1
(2)InChI: InChI=1/C5H6ClN3/c1-7-4-2-3-8-5(6)9-4/h2-3H,1H3,(H,7,8,9)
(3)InChIKey: WJNSNVIQHYHUHX-UHFFFAOYAD