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CAS No.: | 26423-00-7 |
---|---|
Name: | 4-(Butylamino)-6-chloropyrimidine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H12ClN3 |
Molecular Weight: | 185.656 |
Synonyms: | Pyrimidine,4-(butylamino)-6-chloro- (8CI); |
Density: | 1.183g/cm3 |
Boiling Point: | 314.5 °C at 760 mmHg |
Flash Point: | 144 °C |
Hazard Symbols: | Xi |
PSA: | 37.81000 |
LogP: | 2.41500 |
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The 4-Pyrimidinamine,N-butyl-6-chloro, with the CAS registry number 26423-00-7, is also known as 4-(Butylamino)-6-chloropyrimidine and N-Butyl-6-chloropyrimidin-4-amine. It belongs to the product category of Blocks. This chemical's molecular formula is C8H12ClN3 and molecular weight is 185.65398. What's more, its systematic name is N-butyl-6-chloro-pyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine,N-butyl-6-chloro are: (1)ACD/LogP: 1.97; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 37.81 Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 50.83 cm3; (11)Molar Volume: 156.8 cm3; (12)Polarizability: 20.15×10-24 cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.183 g/cm3; (15)Flash Point: 144 °C; (16)Enthalpy of Vaporization: 55.57 kJ/mol; (17)Boiling Point: 314.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000464 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCCNc1cc(ncn1)Cl
(2) InChI: InChI=1/C8H12ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
(3) InChIKey: LHMGITJOGBLZHD-UHFFFAOYAM