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