CAS No.40534-33-6,1-(1-Methyl-1H-pyrazol-4-yl)ethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40534-33-6
Name:	1-(1-Methyl-1H-pyrazol-4-yl)ethanol
Article Data:	5

Formula:	C₆H₁₀N₂O
Molecular Weight:	126.16
Synonyms:	1H-Pyrazole-4-methanol, α,1-dimethyl-;1-(1-Methylpyrazol-4-yl)ethanol;1-(1-Methyl-1H-pyrazol-4-yl)ethan-1-ol;
Density:	1.133 g/cm³
Boiling Point:	236.507 °C at 760 mmHg
Flash Point:	96.836 °C
PSA:	38.05000
LogP:	0.47340

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Specification

This product is an organic compound with the formula C₆H₁₀N₂O. The IUPAC name of this chemical is 1-(1-methylpyrazol-4-yl)ethanol. With the CAS registry number 40534-33-6, it is also named as 1H-Pyrazole-4-methanol, α,1-dimethyl-. In addition, the molecular weight is 126.16.

Physical properties of 1-(1-Methyl-1H-pyrazol-4-yl)ethanol are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10; (6)ACD/KOC (pH 7.4): 10; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.05 Å²; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 35.135 cm³; (13)Molar Volume: 111.392 cm³; (14)Polarizability: 13.929×10^-24cm³; (15)Surface Tension: 37.537 dyne/cm; (16)Density: 1.133 g/cm³; (17)Flash Point: 96.836 °C; (18)Enthalpy of Vaporization: 50.019 kJ/mol; (19)Boiling Point: 236.507 °C at 760 mmHg; (20)Vapour Pressure: 0.026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CN(N=C1)C)O
(2)InChI: InChI=1S/C6H10N2O/c1-5(9)6-3-7-8(2)4-6/h3-5,9H,1-2H3
(3)InChIKey: NNJMHJRBXQSTCT-UHFFFAOYSA-N