CAS No.50866-75-6,1-(1-PENTYL)PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50866-75-6
Name:	1-(1-PENTYL)PIPERAZINE
Article Data:	6

Formula:	C₉H₂₀N₂
Molecular Weight:	156.271
Synonyms:	1-Pentylpiperazine;N-Amylpiperazine;N-Pentylpiperazine;1-(1-Pentyl)piperazine;pentylpiperazine;
Density:	0.865 g/cm³
Boiling Point:	216.7 °C at 760 mmHg
Flash Point:	73.6 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	15.27000
LogP:	1.34850

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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