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CAS No.: | 39268-71-8 |
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Name: | 5-ETHYL-2-PYRIMIDINAMINE |
Molecular Structure: | |
Formula: | C6H9N3 |
Molecular Weight: | 123.158 |
Synonyms: | Pyrimidine,2-amino-5-ethyl- (6CI,7CI); |
Density: | 1.11 g/cm3 |
Boiling Point: | 286.7 °C at 760 mmHg |
Flash Point: | 152 °C |
PSA: | 51.80000 |
LogP: | 1.20240 |
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The 2-Pyrimidinamine,5-ethyl- is an organic compound with the formula C6H9N3. The systematic name of this chemical is 5-ethylpyrimidin-2-amine. With the CAS registry number 39268-71-8, it is also named as 2-Amino-5-ethylpyrimidine. The product's category is Pyrimidine.
Physical properties about 2-Pyrimidinamine,5-ethyl- are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 2.14; (5)ACD/BCF (pH 7.4): 2.27; (6)ACD/KOC (pH 5.5): 59.12; (7)ACD/KOC (pH 7.4): 62.57; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.8 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 36.22 cm3; (14)Molar Volume: 110.9 cm3; (15)Polarizability: 14.35×10-24cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.109 g/cm3; (18)Flash Point: 152 °C; (19)Enthalpy of Vaporization: 52.58 kJ/mol; (20)Boiling Point: 286.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0026 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cnc(N)nc1
(2)InChI: InChI=1/C6H9N3/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
(3)InChIKey: YCHYGGNTIXJETG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H9N3/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
(5)Std. InChIKey: YCHYGGNTIXJETG-UHFFFAOYSA-N