CAS No.326827-21-8,3-Amino-5-cyclobutyl-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	326827-21-8
Name:	3-Amino-5-cyclobutyl-1H-pyrazole
Article Data:	6

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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Specification

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