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82499-96-5

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Basic Information
CAS No.: 82499-96-5
Name: 1-(2-PENTYL)-PIPERAZINE
Molecular Structure:
Molecular Structure of 82499-96-5 (1-(2-PENTYL)-PIPERAZINE)
Formula: C9H20N2
Molecular Weight: 156.271
Synonyms: 1-(1-methylbutyl)piperazine;Piperazine, 1-(1-methylbutyl)-;1-pentan-2-ylpiperazine;1-(2-Pentyl)piperazine;
Density: 0.874 g/cm3
Boiling Point: 211.8 °C at 760 mmHg
Flash Point: 69.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-43
Safety: 36/37
PSA: 15.27000
LogP: 1.34690
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Specification

The Piperazine,1-(1-methylbutyl)-, with the CAS registry number 82499-96-5, has the systematic name of 1-(1-methylbutyl)piperazine. It belongs to the product category of Piperazines. And the molecular formula of the chemical is C9H20N2.

The characteristics of Piperazine,1-(1-methylbutyl)- are as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -0.08; (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): 3.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 48.49 cm3; (15)Molar Volume: 178.6 cm3; (16)Polarizability: 19.22×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.874 g/cm3; (19)Flash Point: 69.5 °C; (20)Enthalpy of Vaporization: 44.81 kJ/mol; (21)Boiling Point: 211.8 °C at 760 mmHg; (22)Vapour Pressure: 0.179 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N1CCN(C(CCC)C)CC1
(2)InChI: InChI=1/C9H20N2/c1-3-4-9(2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
(3)InChIKey: QTPGFCVQPIPHFA-UHFFFAOYAR