Name: 1-(3-METHOXYPROPYL)-PIPERAZINE
SKU: 88708-40-1

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Basic Information

Molecular Structure:
CAS No.:	88708-40-1
Name:	1-(3-METHOXYPROPYL)-PIPERAZINE
Article Data:	3

Formula:	C₈H₁₈N₂O
Molecular Weight:	158.244
Synonyms:	1-(3-Methoxypropyl)piperazine;4-(3-Methoxypropyl)piperazine;N-(3-Methoxypropyl)piperazine;
Density:	0.928 g/cm³
Boiling Point:	232.5 °C at 760 mmHg
Flash Point:	94.4 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	24.50000
LogP:	0.19480

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Specification

This chemical is called Piperazine,1-(3-methoxypropyl)-, and it can also be named as 1-(3-methoxypropyl)piperazine. With the molecular formula of C₈H₁₈N₂O, its molecular weight is 158.24. The CAS registry number of this chemical is 88708-40-1, and its product categories are Piperidine; Amines and Anilines; Heterocycles; API Intermediates; Piperazines.

Other characteristics of the Piperazine,1-(3-methoxypropyl)- can be summarised as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.98; (4)ACD/LogD (pH 7.4): -1.81; (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: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 45.69 cm³; (15)Molar Volume: 170.4 cm³; (16)Polarizability: 18.11×10^-24cm³; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.928 g/cm³; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 46.92 kJ/mol; (21)Boiling Point: 232.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0587 mmHg at 25°C.

Production method of this chemical: The Piperazine,1-(3-methoxypropyl)- could be obtained by the reactant of 1-ethoxycarbonyl-4-(3-methoxypropyl)piperazine. This reaction needs the reagent of KOH, and the solvent of ethanol. The yield is 78 %.

Uses of this chemical: The Piperazine,1-(3-methoxypropyl)- could react with chloroacetic acid ethyl ester, and obtain the [4-(3-methoxy-propyl)-piperazin-1-yl]-acetic acid ethyl ester. This reaction needs the reagent of NaHCO₃, and the solvent of ethanol. The yield is 82 %. In addition, this reaction should be taken for 16 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: O(CCCN1CCNCC1)C
2.InChI: InChI=1/C8H18N2O/c1-11-8-2-5-10-6-3-9-4-7-10/h9H,2-8H2,1H3
3.InChIKey: GWWCQKPWZIASLS-UHFFFAOYAM