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817641-86-4

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Basic Information
CAS No.: 817641-86-4
Name: 1-Tert-Butyl-3-Cyclobutyl-1H-pyrazol-5-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 817641-86-4 (1-Tert-Butyl-3-Cyclobutyl-1H-pyrazol-5-amine)
Formula: C11H19N3
Molecular Weight: 193.292
Synonyms: 1-tert-Butyl-3-cyclobutyl-1H-pyrazol-5-amine;1H-Pyrazol-5-amine, 3-cyclobutyl-1-(1,1-dimethylethyl)-;
Density: 1.153 g/cm3
Boiling Point: 331.669 °C at 760 mmHg
Flash Point: 154.388 °C
PSA: 43.84000
LogP: 3.06900
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Specification

The CAS registry number of 5-Cyclobutyl-2-(tert-butyl)-2H-pyrazol-3-ylamine is 817641-86-4. The IUPAC name is 2-tert-butyl-5-cyclobutyl-pyrazol-3-amine. In addition, the molecular formula is C11H19N3 and the molecular weight is 193.29. It should be stored in a cool and dry place.

Physical properties about 5-Cyclobutyl-2-(tert-butyl)-2H-pyrazol-3-ylamine are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.718; (4)ACD/LogD (pH 7.4): 0.774; (5)ACD/BCF (pH 5.5): 2.005; (6)ACD/BCF (pH 7.4): 2.279; (7)ACD/KOC (pH 5.5): 55.189; (8)ACD/KOC (pH 7.4): 62.73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.84 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 57.041 cm3; (15)Molar Volume: 167.658 cm3; (16)Polarizability: 22.613 ×10-24cm3; (17)Surface Tension: 40.457 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 154.388 °C; (20)Enthalpy of Vaporization: 57.436 kJ/mol; (21)Boiling Point: 331.669 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)n1c(cc(n1)C2CCC2)N
(2)InChI: InChI=1/C11H19N3/c1-11(2,3)14-10(12)7-9(13-14)8-5-4-6-8/h7-8H,4-6,12H2,1-3H3
(3)InChIKey: VZZTXMPAZZZOFX-UHFFFAOYAU