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1-Piperazineaceticacid, 3-oxo-

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  • Name 1-Piperazineaceticacid, 3-oxo-
  • EINECSN/A
  • CAS No. 25629-32-7
  • Density1.293 g/cm3
  • PSA69.64000
  • LogP-1.23050
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H10N2O3
  • Boiling Point434.4 °C at 760 mmHg
  • Molecular Weight158.157
  • Flash Point216.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 25629-32-7 ((3-OXO-1-PIPERAZINYL)ACETIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A

1-Piperazineaceticacid, 3-oxo- Specification

The 1-Piperazineaceticacid, 3-oxo-, with the CAS registry number 25629-32-7, is also known as (3-Oxopiperazin-1-ium-1-yl)acetate. It belongs to the product category of Piperidine. This chemical's molecular formula is C6H10N2O3 and molecular weight is 158.16. What's more, its systematic name is (3-Oxopiperazin-1-yl)acetic acid. 

Physical properties of 1-Piperazineaceticacid, 3-oxo- are: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.46; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 36.38 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 14.42×10-24 cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 216.5 °C; (20)Enthalpy of Vaporization: 75.72 kJ/mol; (21)Boiling Point: 434.4 °C at 760 mmHg; (22)Vapour Pressure: 9.18E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC(=O)N1)CC(=O)O
(2)InChI: InChI=1S/C6H10N2O3/c9-5-3-8(2-1-7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)
(3)InChIKey: FDDVFMDIVCWGKS-UHFFFAOYSA-N

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