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CAS No.: | 5780-70-1 |
---|---|
Name: | 4-Methyl-1-piperazineacetic acid methyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H16N2O2 |
Molecular Weight: | 172.22 |
Synonyms: | Methyl (4-methylpiperazin-1-yl)acetate; |
Density: | 1.036 g/cm3 |
Boiling Point: | 231.4 °C at 760 mmHg |
Flash Point: | 93.7 °C |
PSA: | 32.78000 |
LogP: | -0.71740 |
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The 4-Methyl-1-piperazineacetic acid methyl ester, with the CAS registry number of 5780-70-1, is also known as 1-Piperazineaceticacid, 4-methyl-, methylester (7CI, 8CI, 9CI). It belongs to the product category of Piperidine. This chemical's molecular formula is C8H16N2O2 and molecular weight is 172.22. What's more, its systematic name is called Methyl (4-methylpiperazin-1-yl)acetate.
Physical properties about 4-Methyl-1-piperazineacetic acid methyl ester are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 32.78 Å2; (7)Index of Refraction: 1.466; (8)Molar Refractivity: 46.02 cm3; (9)Molar Volume: 166.1 cm3; (10)Surface Tension: 33.2 dyne/cm; (11)Density: 1.036 g/cm3; (12)Flash Point: 93.7 °C; (13)Enthalpy of Vaporization: 46.8 kJ/mol; (14)Boiling Point: 231.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0626 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CN1CCN(C)CC1
(2) InChI: InChI=1/C8H16N2O2/c1-9-3-5-10(6-4-9)7-8(11)12-2/h3-7H2,1-2H3
(3) InChIKey: LGFZMXDFNYFURS-UHFFFAOYAO