1H-Pyrazol-5-amine,3-ethyl-1-methyl-4-phenyl- supplier

Name
3-ethyl-1-methyl-4-phenyl-1H-pyrazol-5-amine
EINECS
CAS No. 890014-40-1
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅N₃
Boiling Point 373 °C at 760 mmHg
Molecular Weight 201.27
Flash Point 179.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazol-5-amine, 3-ethyl-1-methyl-4-phenyl-;3-Ethyl-1-methyl-4-phenyl-1H-pyrazol-5-amine
PSA
LogP

1H-Pyrazol-5-amine,3-ethyl-1-methyl-4-phenyl- Specification

The 1H-Pyrazol-5-amine,3-ethyl-1-methyl-4-phenyl- has CAS registry number 890014-40-1. This chemical's molecular formula is C₁₂H₁₅N₃ and molecular weight is 201.27. What's more, its systematic name is 3-ethyl-1-methyl-4-phenyl-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-5-amine,3-ethyl-1-methyl-4-phenyl- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 9.77; (6)ACD/BCF (pH 7.4): 10.05; (7)ACD/KOC (pH 5.5): 176.4; (8)ACD/KOC (pH 7.4): 181.54; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 61.3 cm³; (15)Molar Volume: 179.2 cm³; (16)Polarizability: 24.3×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 62.02 kJ/mol; (21)Boiling Point: 373 °C at 760 mmHg; (22)Vapour Pressure: 9.25E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c(c1ccccc1)c(N)n2C)CC
(2)Std. InChI: InChI=1S/C12H15N3/c1-3-10-11(12(13)15(2)14-10)9-7-5-4-6-8-9/h4-8H,3,13H2,1-2H3
(3)Std. InChIKey: VVYDMJNSRDLPRN-UHFFFAOYSA-N

Product Name

3-ethyl-1-methyl-4-phenyl-1H-pyrazol-5-amine

1H-Pyrazol-5-amine,3-ethyl-1-methyl-4-phenyl- Specification

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