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CAS No.: | 52602-68-3 |
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Name: | 6-chloro-N-methyl-pyrimidine-4,5-diamine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H7ClN4 |
Molecular Weight: | 158.5889 |
Synonyms: | (5-Amino-6-chloropyrimidin-4-yl)methylamine; |
Density: | 1.447 g/cm3 |
Melting Point: | 62℃ |
Boiling Point: | 328.2 °C at 760 mmHg |
Flash Point: | 152.3 °C |
PSA: | 63.83000 |
LogP: | 1.40810 |
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The 6-chloro-N4-methyl-pyrimidine-4,5-diamine, with the CAS registry number 52602-68-3, is also known as Pyrimidine, 5-amino-6-chloro-4-(methylamino)-. Its molecular formula is C5H7ClN4 and its molecular weight is 158.5889. What's more, the IUPAC name of this chemical is 6-Chloro-N4-methylpyrimidine-4,5-diamine.
Physical properties about the 6-chloro-N4-methyl-pyrimidine-4,5-diamine are: (1)ACD/LogP: -0.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.73; (6)ACD/BCF (pH 7.4): 36.19; (7)ACD/KOC (pH 5.5): 448.39; (8)ACD/KOC (pH 7.4): 454.18; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 41.17 cm3; (15)Molar Volume: 109.5 cm3; (16)Surface Tension: 69.3 dyne/cm; (17)Density: 1.447 g/cm3; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 57.06 kJ/mol; (20)Boiling Point: 328.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000192 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncnc(NC)c1N
(2) InChI: InChI=1/C5H7ClN4/c1-8-5-3(7)4(6)9-2-10-5/h2H,7H2,1H3,(H,8,9,10)
(3) InChIKey: RIYBSFHJIOZYLD-UHFFFAOYAL