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CAS No.: | 872511-30-3 |
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Name: | 6-Chloro-N-ethylpyrimidin-4-amine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H8ClN3 |
Molecular Weight: | 157.603 |
Synonyms: | N-(6-Chloropyrimidin-4-yl)ethylamine; |
Density: | 1.273 g/cm3 |
Boiling Point: | 289.7 °C at 760 mmHg |
Flash Point: | 129 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 37.81000 |
LogP: | 1.63480 |
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The 6-Chloro-N-ethylpyrimidin-4-amine is an organic compound with the formula C6H8ClN3. The IUPAC name of this chemical is 6-chloro-N-ethylpyrimidin-4-amine. With the CAS registry number 872511-30-3, it is also named as 4-Chloro-6-(ethylamino)pyrimidine. The product's categories are Azoles; Blocks; Pyridines.
Physical properties about 6-Chloro-N-ethylpyrimidin-4-amine are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 2.9; (5)ACD/BCF (pH 7.4): 2.9; (6)ACD/KOC (pH 5.5): 74.58; (7)ACD/KOC (pH 7.4): 74.64; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02 Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 41.57 cm3; (14)Molar Volume: 123.7 cm3; (15)Polarizability: 16.48×10-24cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.273 g/cm3; (18)Flash Point: 129 °C; (19)Enthalpy of Vaporization: 52.9 kJ/mol; (20)Boiling Point: 289.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00217 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(NCC)c1
(2)InChI: InChI=1/C6H8ClN3/c1-2-8-6-3-5(7)9-4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
(3)InChIKey: PCOIHHDNCUROLX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H8ClN3/c1-2-8-6-3-5(7)9-4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
(5)Std. InChIKey: PCOIHHDNCUROLX-UHFFFAOYSA-N