CAS No.17629-26-4,1-Ethyl-3,5-dimethyl-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17629-26-4
Name:	1-Ethyl-3,5-dimethyl-1H-pyrazole
Article Data:	10

Formula:	C₇H₁₂N₂
Molecular Weight:	124.186
Synonyms:	Pyrazole,1-ethyl-3,5-dimethyl- (6CI,7CI,8CI);1-Ethyl-3,5-dimethyl-1H-pyrazole;1-Ethyl-3,5-dimethylpyrazole;
Density:	0.96 g/cm³
Boiling Point:	179.3 °C at 760 mmHg
Flash Point:	62.2 °C
PSA:	17.82000
LogP:	1.51980

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Specification

The 1-Ethyl-3,5-dimethyl-1H-pyrazole is an organic compound with the formula C₇H₁₂N₂. The systematic name of this chemical is 1-ethyl-3,5-dimethyl-1H-pyrazole. With the CAS registry number 17629-26-4, it is also named as Pyrazole, 1-ethyl-3,5-dimethyl-.

Physical properties about 1-Ethyl-3,5-dimethyl-1H-pyrazole are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 9.91; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 179.26; (7)ACD/KOC (pH 7.4): 180.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 38.7 cm³; (13)Molar Volume: 129.3 cm³; (14)Polarizability: 15.34×10^-24cm³; (15)Surface Tension: 29.3 dyne/cm; (16)Density: 0.96 g/cm³; (17)Flash Point: 62.2 °C; (18)Enthalpy of Vaporization: 39.85 kJ/mol; (19)Boiling Point: 179.3 °C at 760 mmHg; (20)Vapour Pressure: 1.28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(n1CC)C)C
(2)InChI: InChI=1/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
(3)InChIKey: WBTANXHOAUWNIK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
(5)Std. InChIKey: WBTANXHOAUWNIK-UHFFFAOYSA-N