Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(1-Methyl-1H-pyrazol-4-yl)ethanol |
EINECS | N/A |
CAS No. | 40534-33-6 | Density | 1.133 g/cm3 |
PSA | 38.05000 | LogP | 0.47340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10N2O | Boiling Point | 236.507 °C at 760 mmHg |
Molecular Weight | 126.16 | Flash Point | 96.836 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Pyrazole-4-methanol, α,1-dimethyl-;1-(1-Methylpyrazol-4-yl)ethanol;1-(1-Methyl-1H-pyrazol-4-yl)ethan-1-ol; |
Article Data | 5 |
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