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5-Cyclohexyl-1H-pyrazol-3-amine

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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 Molecular Structure of 81542-54-3 (5-Cyclohexyl-1H-pyrazol-3-amine) Hazard Symbols N/A
Synonyms

3-Cyclohexyl-1H-pyrazol-5-amine;

Article Data 4

5-Cyclohexyl-1H-pyrazol-3-amine Specification

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

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