1-Piperazineaceticacid, 3-oxo- supplier

Name
(3-OXO-1-PIPERAZINYL)ACETIC ACID
EINECS
CAS No. 25629-32-7
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₆H₁₀N₂O₃
Boiling Point 434.4 °C at 760 mmHg
Molecular Weight 158.157
Flash Point 216.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3-Oxopiperazin-1-ium-1-yl)acetate;(3-Oxopiperazin-1-yl)acetic acid;3-Oxo-1-piperazineacetic acid;
PSA 69.64000
LogP -1.23050

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

Product Name

(3-OXO-1-PIPERAZINYL)ACETIC ACID

1-Piperazineaceticacid, 3-oxo- Specification

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