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189745-28-6

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Basic Information
CAS No.: 189745-28-6
Name: 4-Pyrimidinamine, 5-(chloromethyl)-2-methyl- (9CI)
Article Data: 5
Molecular Structure:
Molecular Structure of 189745-28-6 (4-Pyrimidinamine, 5-(chloromethyl)-2-methyl- (9CI))
Formula: C6H8ClN3
Molecular Weight: 157.60
Synonyms: Pyrimidine, 4-amino-5-(chloromethyl)-2-methyl- (4CI);4-Amino-5-(chloromethyl)-2-methyl-pyrimidine;
Density: 1.29 g/cm3
Melting Point: 163 °C
Boiling Point: 296.379 °C at 760 mmHg
Flash Point: 133.046 °C
PSA: 52.53000
LogP: 1.03610
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Specification

The 5-(Chloromethyl)-2-methyl-4-pyrimidinamine, with the CAS registry number 189745-28-6, is also known as 4-Pyrimidinamine, 5-(chloromethyl)-2-methyl-. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8ClN3 and molecular weight is 157.60. What's more, its systematic name is 5-(Chloromethyl)-2-methyl-4-pyrimidinamine.

Physical properties of 5-(Chloromethyl)-2-methyl-4-pyrimidinamine are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 14.16; (8)ACD/KOC (pH 7.4): 24.49; (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: 1.591; (14)Molar Refractivity: 41.262 cm3; (15)Molar Volume: 122.131 cm3; (16)Polarizability: 16.358×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 133.046 °C; (20)Enthalpy of Vaporization: 53.615 kJ/mol; (21)Boiling Point: 296.379 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cnc(nc1N)C
(2)Std. InChI: InChI=1S/C6H8ClN3/c1-4-9-3-5(2-7)6(8)10-4/h3H,2H2,1H3,(H2,8,9,10)
(3)Std. InChIKey: AMLLQDUJVUQRGA-UHFFFAOYSA-N