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Cas Database |
| Name |
3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine |
EINECS | N/A |
| CAS No. | 126208-61-5 | Density | 1.07 g/cm3 |
| PSA | 43.84000 | LogP | 3.33320 |
| Solubility | N/A | Melting Point |
59-61°C |
| Formula | C13H17N3 | Boiling Point | 356.3 °C at 760 mmHg |
| Molecular Weight | 215.298 | Flash Point | 169.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine; |
Article Data | 17 |
3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine Specification
The 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine with the cas number 126208-61-5 is also called 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine. The IUPAC name is 5-tert-butyl-2-phenylpyrazol-3-amine. Its molecular formula is C13H17N3.
The properties of the chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 66.25 cm3; (9)Molar Volume: 199.9 cm3; (10)Polarizability: 26.26×10-24cm3; (11)Surface Tension: 39.1 dyne/cm; (12)Enthalpy of Vaporization: 60.15 kJ/mol; (13)Vapour Pressure: 2.95×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(n1c2ccccc2)N)C(C)(C)C
(2)InChI: InChI=1/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
(3)InChIKey: GFWSTBBSSBVVQP-UHFFFAOYAX
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