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1H-Pyrazole-1-propanamine,3,5-dimethyl-

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Name

1H-Pyrazole-1-propanamine,3,5-dimethyl-

EINECS N/A
CAS No. 62821-89-0 Density 1.06 g/cm3
PSA 43.84000 LogP 1.54900
Solubility N/A Melting Point N/A
Formula C8H15N3 Boiling Point 254.9 °C at 760 mmHg
Molecular Weight 153.227 Flash Point 107.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62821-89-0 (3-(3,5-DIMETHYL-PYRAZOL-1-YL)-PROPYLAMINE) Hazard Symbols IrritantXi
Synonyms

Pyrazole,1-(3-aminopropyl)-3,5-dimethyl- (7CI);1-(3-Aminopropyl)-3,5-dimethylpyrazole;3-(3,5-Dimethylpyrazol-1-yl)propan-1-amine;3-(3,5-Dimethyl-pyrazol-1-yl)-propylamine;

 

1H-Pyrazole-1-propanamine,3,5-dimethyl- Specification

The 1H-Pyrazole-1-propanamine,3,5-dimethyl-, with the CAS registry number 62821-89-0, is also known as 1-(3-Aminopropyl)-3,5-dimethylpyrazole. This chemical's molecular formula is C8H15N3 and molecular weight is 153.22. What's more, its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine. 

Physical properties of 1H-Pyrazole-1-propanamine,3,5-dimethyl- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 143.2 cm3; (16)Polarizability: 18×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 107.9 °C; (20)Enthalpy of Vaporization: 49.23 kJ/mol; (21)Boiling Point: 254.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0168 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NN1CCCN)C
(2)InChI: InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
(3)InChIKey: AFJVVHQSOQPLOC-UHFFFAOYSA-N

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