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Piperazine, 1-pentyl-

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Name

Piperazine, 1-pentyl-

EINECS N/A
CAS No. 50866-75-6 Density 0.865 g/cm3
PSA 15.27000 LogP 1.34850
Solubility N/A Melting Point N/A
Formula C9H20N2 Boiling Point 216.7 °C at 760 mmHg
Molecular Weight 156.271 Flash Point 73.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 50866-75-6 (1-(1-PENTYL)PIPERAZINE) Hazard Symbols Xi
Synonyms

1-Pentylpiperazine;N-Amylpiperazine;N-Pentylpiperazine;1-(1-Pentyl)piperazine;pentylpiperazine;

Article Data 6

Piperazine, 1-pentyl- Specification

The Piperazine, 1-pentyl-, with the CAS registry number 50866-75-6, has the systematic name and IUPAC name of 1-pentylpiperazine. It belongs to the product category of Piperazines. And the molecular formula of the chemical is C9H20N2.

The characteristics of Piperazine, 1-pentyl- are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -0.1; (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): 2.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 48.58 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 19.26×10-24cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.865 g/cm3; (19)Flash Point: 73.6 °C; (20)Enthalpy of Vaporization: 45.3 kJ/mol; (21)Boiling Point: 216.7 °C at 760 mmHg; (22)Vapour Pressure: 0.138 mmHg at 25°C.

Uses of Piperazine, 1-pentyl-: It can react with 2-ethylsulfanyl-3H-quinazolin-4-one to produce 2-(4-pentyl-piperazin-1-yl)-3H-quinazolin-4-one. And the yield is about 70%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N1CCN(CCCCC)CC1
(2)InChI: InChI=1/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3
(3)InChIKey: MJWWNBHUIIRNDZ-UHFFFAOYAD

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