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CAS No.: | 79651-35-7 |
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Name: | 4-Pyrimidinamine, 2-(chloromethyl)- (9CI) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H6ClN3 |
Molecular Weight: | 143.576 |
Synonyms: | 4-Pyrimidinamine; |
Density: | 1.356 g/cm3 |
Boiling Point: | 263.486 °C at 760 mmHg |
Flash Point: | 113.153 °C |
PSA: | 51.80000 |
LogP: | 1.37880 |
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The 4-Pyrimidinamine,2-(chloromethyl)-, with the CAS registry number of 79651-35-7, is also known as 4-Pyrimidinamine. It belongs to the product categorie of Pyrimidine. This chemical's molecular formula is C5H6ClN3 and molecular weight is 143.57424. What's more, both its IUPAC name and systematic name is called 2-(Chloromethyl)pyrimidin-4-amine.
Physical properties about the 4-Pyrimidinamine,2-(chloromethyl)- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 17.08; (4)ACD/KOC (pH 7.4): 17.879; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.8 Å2; (9)Index of Refraction: 1.605; (10)Molar Refractivity: 36.437 cm3; (11)Molar Volume: 105.856 cm3; (12)Surface Tension: 61.68 dyne/cm; (13)Density: 1.356 g/cm3; (14)Flash Point: 113.153 °C; (15)Enthalpy of Vaporization: 50.132 kJ/mol; (16)Boiling Point: 263.486 °C at 760 mmHg; (17)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(nc1N)CCl
(2) InChI: InChI=1/C5H6ClN3/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2,(H2,7,8,9)
(3) InChIKey: JWAQENUKTAOJST-UHFFFAOYAO