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| CAS No.: | 155295-47-9 |
|---|---|
| Name: | 1-PIVALOYL-PIPERAZINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H18N2O |
| Molecular Weight: | 170.255 |
| Synonyms: | Piperazine,1-(2,2-dimethyl-1-oxopropyl)- (9CI);2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; |
| Density: | 0.976 g/cm3 |
| Boiling Point: | 285.4 °C at 760 mmHg |
| Flash Point: | 126.4 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | Harmful:; ">  Harmful:; |
| Safety: | 26 |
| PSA: | 32.34000 |
| LogP: | 0.73100 |
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- Total:19 Page 1 of 1 1
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Specification
The 1-Propanone,2,2-dimethyl-1-(1-piperazinyl)-, with the CAS registry number 155295-47-9, is also known as 1-(2,2-Dimethylpropanoyl)piperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C9H18N2O and molecular weight is 170.25. Its IUPAC name is called 2,2-dimethyl-1-piperazin-1-ylpropan-1-one.
Physical properties of 1-Propanone,2,2-dimethyl-1-(1-piperazinyl)-: (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): -1.51; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.94; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 48.43 cm3; (13)Molar Volume: 174.3 cm3; (14)Surface Tension: 32.6 dyne/cm; (15)Density: 0.976 g/cm3; (16)Flash Point: 126.4 °C; (17)Enthalpy of Vaporization: 52.44 kJ/mol; (18)Boiling Point: 285.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00281 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(=O)N1CCNCC1
(2)InChI: InChI=1S/C9H18N2O/c1-9(2,3)8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
(3)InChIKey: FPXOBQQMHSMJMN-UHFFFAOYSA-N