4-Methyl-1-piperazineacetic acid methyl ester supplier

Name
4-Methyl-1-piperazineacetic acid methyl ester
EINECS
CAS No. 5780-70-1
Article Data5
CAS DataBase
Density 1.036 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₂O₂
Boiling Point 231.4 °C at 760 mmHg
Molecular Weight 172.22
Flash Point 93.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl (4-methylpiperazin-1-yl)acetate;
PSA 32.78000
LogP -0.71740

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

Product Name

4-Methyl-1-piperazineacetic acid methyl ester

4-Methyl-1-piperazineacetic acid methyl ester Specification

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