1-Piperazineacetic acid,2-oxo-,ethyl ester supplier

Name
1-Piperazineaceticacid,2-oxo-,ethylester(9CI)
EINECS
CAS No. 164784-87-6
Article Data3
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₈H₁₄N₂O₃
Boiling Point 360.647 °C at 760 mmHg
Molecular Weight 186.211
Flash Point 171.913 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Piperazineacetic acid, 5-oxo-, ethyl ester;Ethyl (5-oxopiperazin-2-yl)acetate;
PSA 58.64000
LogP -0.75200

1-Piperazineacetic acid,2-oxo-,ethyl ester Specification

The 1-Piperazineacetic acid,2-oxo-,ethyl ester, with the CAS registry number 164784-87-6, is also known as 2-Piperazineacetic acid, 5-oxo-, ethyl ester. It belongs to the product category of Piperidine. This chemical's molecular formula is C₈H₁₄N₂O₃ and molecular weight is 186.21. What's more, its systematic name is Ethyl (5-oxopiperazin-2-yl)acetate.

Physical properties of 1-Piperazineacetic acid,2-oxo-,ethyl ester are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 45.641 cm³; (15)Molar Volume: 169.085 cm³; (16)Polarizability: 18.093×10^-24 cm³; (17)Surface Tension: 33.239 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 171.913 °C; (20)Enthalpy of Vaporization: 60.638 kJ/mol; (21)Boiling Point: 360.647 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1CNC(=O)CN1)OCC
(2)InChI: InChI=1/C8H14N2O3/c1-2-13-8(12)3-6-4-10-7(11)5-9-6/h6,9H,2-5H2,1H3,(H,10,11)
(3)InChIKey: HCGCAXBTRPXGAK-UHFFFAOYAI

Product Name

1-Piperazineaceticacid,2-oxo-,ethylester(9CI)

1-Piperazineacetic acid,2-oxo-,ethyl ester Specification

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