4-Pyrimidinamine,N-butyl-6-chloro- supplier

Name
4-(Butylamino)-6-chloropyrimidine
EINECS
CAS No. 26423-00-7
Article Data4
CAS DataBase
Density 1.183g/cm³
Solubility
Melting Point
Formula C₈H₁₂ClN₃
Boiling Point 314.5 °C at 760 mmHg
Molecular Weight 185.656
Flash Point 144 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrimidine,4-(butylamino)-6-chloro- (8CI);
PSA 37.81000
LogP 2.41500

4-Pyrimidinamine,N-butyl-6-chloro- Specification

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^-24cm³; (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

Product Name

4-(Butylamino)-6-chloropyrimidine

4-Pyrimidinamine,N-butyl-6-chloro- Specification

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