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CAS No.: | 7148-05-2 |
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Name: | 3-(4-METHYL-PIPERAZIN-1-YL)-PROPIONIC ACID ETHYL ESTER >98% |
Article Data: | 8 |
Molecular Structure: | |
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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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