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CAS No.: | 19927-54-9 |
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Name: | 4-(4-CHLOROPHENYL)-6-METHYLPYRIMIDIN-2-AMINE |
Molecular Structure: | |
Formula: | C11H10ClN3 |
Molecular Weight: | 219.673 |
Synonyms: | Pyrimidine,2-amino-4-(p-chlorophenyl)-6-methyl- (8CI); |
Density: | 1.279 g/cm3 |
Boiling Point: | 424.9 °C at 760 mmHg |
Flash Point: | 210.8 °C |
PSA: | 51.80000 |
LogP: | 3.26880 |
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The 2-Pyrimidinamine,4-(4-chlorophenyl)-6-methyl- is an organic compound with the formula C11H10ClN3. The systematic name of this chemical is 4-(4-Chlorophenyl)-6-methyl-pyrimidin-2-amine. The CAS registry number of this chemical is 19927-54-9. Besides, its molecular weight is 219.67.
The physical properties of 2-Pyrimidinamine,4-(4-chlorophenyl)-6-methyl- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.57; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 51.8 Å2; (8)Index of Refraction: 1.628; (9)Molar Refractivity: 60.98 cm3; (10)Molar Volume: 171.6 cm3; (11)Polarizability: 24.17×10-24 cm3; (12)Surface Tension: 55.3 dyne/cm; (13)Density: 1.279 g/cm3; (14)Flash Point: 210.8 °C; (15)Enthalpy of Vaporization: 67.95 kJ/mol; (16)Boiling Point: 424.9 °C at 760 mmHg; (17)Vapour Pressure: 1.99E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(nc(n1)N)c2ccc(cc2)Cl
(2)InChI: InChI=1/C11H10ClN3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15)
(3)InChIKey: BJTVDYOSYBZBBT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H10ClN3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15)
(5)Std. InChIKey: BJTVDYOSYBZBBT-UHFFFAOYSA-N