3,3-Dimethylpiperazin-2-one supplier

Name
3,3-DIMETHYLPIPERAZIN-2-ONE
EINECS
CAS No. 22476-74-0
Article Data15
CAS DataBase
Density 0.96 g/cm³;
Solubility
Melting Point 134 °C
Formula C₆H₁₂N₂O
Boiling Point 275 °C at 760 mmHg
Molecular Weight 128.174
Flash Point 132.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Dimethyl-2-piperazinone;
PSA 41.13000
LogP 0.14200

3,3-Dimethylpiperazin-2-one Specification

The 2-Piperazinone,3,3-dimethyl-, with the CAS registry number of 22476-74-0, is also known as 3,3-Dimethyl-2-piperazinone. It belongs to the product category of pharmacetical. This chemical's molecular formula is C₆H₁₂N₂O and molecular weight is 128.17. What's more, its IUPAC name is 3,3-Dimethylpiperazin-2-one. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the 2-Piperazinone,3,3-dimethyl- are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.22; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.431; (12)Molar Refractivity: 34.59 cm³; (13)Molar Volume: 133.4 cm³; (14)Surface Tension: 25 dyne/cm; (15)Density: 0.96 g/cm³; (16)Flash Point: 132.5 °C; (17)Enthalpy of Vaporization: 51.34 kJ/mol; (18)Boiling Point: 275 °C at 760 mmHg; (19)Vapour Pressure: 0.00523 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCNC1(C)C
(2) InChI: InChI=1/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
(3) InChIKey: ZBFIRYWCOIYJDA-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	> 500mg/kg (500mg/kg)		Chimica Therapeutica. Vol. 4, Pg. 167, 1969.

Product Name

3,3-DIMETHYLPIPERAZIN-2-ONE

3,3-Dimethylpiperazin-2-one Specification

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