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4-Methyl-1-piperazineacetic acid methyl ester

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Name

4-Methyl-1-piperazineacetic acid methyl ester

EINECS N/A
CAS No. 5780-70-1 Density 1.036 g/cm3
PSA 32.78000 LogP -0.71740
Solubility N/A Melting Point N/A
Formula C8H16N2O2 Boiling Point 231.4 °C at 760 mmHg
Molecular Weight 172.22 Flash Point 93.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5780-70-1 (4-Methyl-1-piperazineacetic acid methyl ester) Hazard Symbols N/A
Synonyms

Methyl (4-methylpiperazin-1-yl)acetate;

Article Data 5

4-Methyl-1-piperazineacetic acid methyl ester Specification

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

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