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CAS No.: | 326827-21-8 |
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Name: | 3-Amino-5-cyclobutyl-1H-pyrazole |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H11N3 |
Molecular Weight: | 137.184 |
Synonyms: | 3-Cyclobutyl-1H-pyrazole-5-amine;3-Cyclobutyl-5-amino-1H-pyrazole; |
Density: | 1.258 g/cm3 |
Boiling Point: | 368.058 °C at 760 mmHg |
Flash Point: | 204.049 °C |
Solubility: | Slightly soluble in water. |
PSA: | 54.70000 |
LogP: | 1.84060 |
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The 3-Amino-5-cyclobutyl-1H-pyrazole is an organic compound with the formula C7H11N3. The IUPAC name of this chemical is 5-cyclobutyl-1H-pyrazol-3-amine. With the CAS registry number 326827-21-8, it is also named as 3-Cyclobutyl-1H-pyrazole-5-amine. The product's categories are 1H-pyrazol-3-amine, 5-cyclobutyl-. Besides, it should be stored in a closed, cool, dry place.
Physical properties about 3-Amino-5-cyclobutyl-1H-pyrazole are: (1)ACD/LogP: 0.48; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 30; (5)ACD/KOC (pH 7.4): 40; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 54.7 Å2; (10)Index of Refraction: 1.648; (11)Molar Refractivity: 39.652 cm3; (12)Molar Volume: 108.988 cm3; (13)Polarizability: 15.719×10-24cm3; (14)Surface Tension: 68.144 dyne/cm; (15)Density: 1.259 g/cm3; (16)Flash Point: 204.049 °C; (17)Enthalpy of Vaporization: 61.467 kJ/mol; (18)Boiling Point: 368.058 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(nn1)C2CCC2
(2)InChI: InChI=1/C7H11N3/c8-7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H3,8,9,10)
(3)InChIKey: DELFRVWPWUEOHU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H11N3/c8-7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H3,8,9,10)
(5)Std. InChIKey: DELFRVWPWUEOHU-UHFFFAOYSA-N