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Basic Information
CAS No.: 7148-05-2
Name: 3-(4-METHYL-PIPERAZIN-1-YL)-PROPIONIC ACID ETHYL ESTER >98%
Molecular Structure:
Molecular Structure of 7148-05-2 (3-(4-METHYL-PIPERAZIN-1-YL)-PROPIONIC ACID ETHYL ESTER >98%)
Formula: C10H20N2O2
Molecular Weight: 200.281
Synonyms: Ethyl 3-(4-methylpiperazin-1-yl)propanoate;3-(4-Methyl-piperazin-1-yl)-propionic acid ethyl ester;
Density: 1.005 g/cm3
Boiling Point: 273.2 °C at 760 mmHg
Flash Point: 119 °C
PSA: 32.78000
LogP: 0.06280
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Specification

The 1-Piperazinepropanoicacid, 4-methyl-, ethyl ester, with the CAS registry number 7148-05-2, is also known as 3-(4-Methyl-piperazin-1-yl)-propionic acid ethyl ester. The molecular formula of this chemical is C10H20N2O2 and molecular weight is 200.28. What's more, its systematic name is Ethyl 3-(4-methylpiperazin-1-yl)propanoate.

Physical properties of 1-Piperazinepropanoicacid, 4-methyl-, ethyl ester are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 32.78 Å2; (7)Index of Refraction: 1.467; (8)Molar Refractivity: 55.28 cm3; (9)Molar Volume: 199.1 cm3; (10)Polarizability: 21.91×10-24 cm3; (11)Surface Tension: 33.5 dyne/cm; (12)Density: 1.005 g/cm3; (13)Flash Point: 119 °C; (14)Enthalpy of Vaporization: 51.15 kJ/mol; (15)Boiling Point: 273.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00581 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCN1CCN(CC1)C
(2)InChI: InChI=1S/C10H20N2O2/c1-3-14-10(13)4-5-12-8-6-11(2)7-9-12/h3-9H2,1-2H3
(3)InChIKey: WQLYUEPNQYYYIH-UHFFFAOYSA-N