4-Isopropyl-1H-pyrazol-3-amine supplier

Name
4-Isopropyl-1H-pyrazol-3-amine
EINECS
CAS No. 151521-49-2
Article Data21
CAS DataBase
Density 1.104 g/cm³
Solubility
Melting Point
Formula C₆H₁₁N₃
Boiling Point 295.776 °C at 760 mmHg
Molecular Weight 125.17
Flash Point 157.794 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazol-3-amine, 4-(1-methylethyl)-;
PSA 54.70000
LogP 1.69650

4-Isopropyl-1H-pyrazol-3-amine Specification

The 4-Isopropyl-1H-pyrazol-3-amine, with the CAS registry number 151521-49-2, is also known as 1H-Pyrazol-3-amine, 4-(1-methylethyl)-. It belongs to the product categories of Amineprimary; Pyrazole. This chemical's molecular formula is C₆H₁₁N₃ and molecular weight is 125.17. Its IUPAC name is called 4-propan-2-yl-1H-pyrazol-5-amine.

Physical properties of 4-Isopropyl-1H-pyrazol-3-amine: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.104; (4)ACD/LogD (pH 7.4): 0.305; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.003; (7)ACD/KOC (pH 5.5): 21.915; (8)ACD/KOC (pH 7.4): 34.792; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 37.198 cm³; (14)Molar Volume: 113.332 cm³; (15)Surface Tension: 50.357 dyne/cm; (16)Density: 1.104 g/cm³; (17)Flash Point: 157.794 °C; (18)Enthalpy of Vaporization: 53.551 kJ/mol; (19)Boiling Point: 295.776 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=C(NN=C1)N
(2)InChI: InChI=1S/C6H11N3/c1-4(2)5-3-8-9-6(5)7/h3-4H,1-2H3,(H3,7,8,9)
(3)InChIKey: UQTLFNBARWAWIS-UHFFFAOYSA-N

Product Name

4-Isopropyl-1H-pyrazol-3-amine

4-Isopropyl-1H-pyrazol-3-amine Specification

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