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CAS No.: | 1749-68-4 |
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Name: | 4-Amino-6-chloro-2-methylpyrimidine |
Molecular Structure: | |
Formula: | C5H6ClN3 |
Molecular Weight: | 143.576 |
Synonyms: | Pyrimidine, 4-amino-6-chloro-2-methyl- (6CI,7CI,8CI);2-Methyl-4-chloro-6-aminopyrimidine;6-Chloro-2-methyl-4-pyrimidinamine;NSC 145903;6-Chloro-2-methylpyrimidin-4-amine; |
Density: | 1.35 g/cm3 |
Melting Point: | 189 °C |
Boiling Point: | 269.176 °C at 760 mmHg |
Flash Point: | 116.594 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 51.80000 |
LogP: | 1.60180 |
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The 4-Amino-6-chloro-2-methylpyrimidineine, with the CAS registry number 1749-68-4, is also known as 2-Methyl-4-chloro-6-aminopyrimidine. It belongs to the product categories of Pyrimidine; APIs & Intermediate. This chemical's molecular formula is C5H6ClN3 and molecular weight is 143.57. What's more, its systematic name is 6-Chloro-2-methyl-4-pyrimidinamine.
Physical properties of 4-Amino-6-chloro-2-methylpyrimidine are: (1)ACD/LogP: 0.897; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.90; (5)ACD/BCF (pH 5.5): 2.80; (6)ACD/BCF (pH 7.4): 2.83; (7)ACD/KOC (pH 5.5): 72.39; (8)ACD/KOC (pH 7.4): 73.24; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 36.391 cm3; (15)Molar Volume: 106.387 cm3; (16)Polarizability: 14.427×10-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 116.594 °C; (20)Enthalpy of Vaporization: 50.729 kJ/mol; (21)Boiling Point: 269.176 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(cc(n1)Cl)N
(2)Std. InChI: InChI=1S/C5H6ClN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
(3)Std. InChIKey: SSAYHQQUDKQNAC-UHFFFAOYSA-N