Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Cyclohexyl-1H-pyrazol-3-amine |
EINECS | N/A |
CAS No. | 81542-54-3 | Density | 1.143 g/cm3 |
PSA | 55.43000 | LogP | 1.96970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H15N3 | Boiling Point | 381.9 °C at 760 mmHg |
Molecular Weight | 165.238 | Flash Point | 212.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Cyclohexyl-1H-pyrazol-5-amine; |
Article Data | 4 |
The IUPAC name of this chemical is 5-Cyclohexyl-1H-pyrazol-3-amine. With the CAS registry number 81542-54-3, it is also named as 3-Cyclohexyl-1H-pyrazol-5-amine. In addition, the formula is C9H15N3 and the molecular weight is 165.2355.
Physical properties about 5-Cyclohexyl-1H-pyrazol-3-amine are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.55; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 54.7 Å2; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 48.87 cm3; (11)Molar Volume: 144.4 cm3; (12)Polarizability: 19.37 ×10-24cm3; (13)Surface Tension: 54.8 dyne/cm; (14)Density: 1.143 g/cm3; (15)Flash Point: 212.9 °C; (16)Enthalpy of Vaporization: 63.02 kJ/mol; (17)Boiling Point: 381.9 °C at 760 mmHg; (18)Vapour Pressure: 4.93E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(nn1)C2CCCCC2
(2)InChI: InChI=1/C9H15N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12)
(3)InChIKey: FKGKCJWLTPEMRC-UHFFFAOYAD