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CAS No.: | 34581-21-0 |
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Name: | 1-(2-BUTYL)-PIPERAZINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H18N2 |
Molecular Weight: | 142.2419 |
Synonyms: | RARECHEM AH CK 0064;TIMTEC-BB SBB007161;AKOS BB-5482;AKOS B023078;1-(2-BUTYL)-PIPERAZINE;ART-CHEM-BB B023078;1-But-2-ylpiperazine;1-(butan-2-yl)piperazine;1-sec-Butylpiperazine;1-sec-Butyl-piperazine;(methylpropyl)piperazine;1-(2-Butyl)-piperazine;1-(2-Butyl)Piperazine;MFCD02093552; |
Density: | 0.877 g/cm3 |
Boiling Point: | 189.6 °C at 760 mmHg |
Flash Point: | 61.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 15.27000 |
LogP: | 0.95680 |
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The Piperazine,1-(1-methylpropyl)-, with CAS registry number of 34581-21-0, is also known as 1-But-2-ylpiperazine. It belongs to category of Piperaizine. Its systematic name is 1-(1-methylpropyl)piperazine. Its molecular formula is C8H18N2, and its molecular weight is 142.2419.
Physical properties about this chemical are: (1) ACD/LogP: 1.23; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.83; (4) ACD/LogD (pH 7.4): -0.73; (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): 1.22; (9) # H bond acceptors: 2; (10) # H bond donors: 1; (11) # Freely Rotating Bonds: 2; (12) Polar Surface Area: 6.48 Å2; (13) Index of Refraction: 1.453; (14) Molar Refractivity: 43.85 cm3; (15) Molar Volume: 162.1 cm3; (16) Polarizability: 17.38×10-24 cm3; (17) Surface Tension: 28.1 dyne/cm; (18) Density: 0.877 g/cm3; (19)Flash Point: 61.3 °C; (20) Enthalpy of Vaporization: 42.58 kJ/mol; (21)Boiling Point: 189.6 °C at 760 mmHg; (22) Vapour Pressure: 0.564 mmHg at 25°C.
Preparation of Piperazine,1-(1-methylpropyl)-: it is prepared by reaction of piperazine with 2-bromo-butane. The reaction needs reagent triethylamine and solvent ethanol. After 66 hours the yield is about 43%.
Uses of Piperazine,1-(1-methylpropyl)-: it is used to produce other chemicals. For example, it can react with 3'-tert-butyldimethylsilyloxybenzoxazinorifamycin to get C51H64N4O13. The reaction occurs with reagent manganese dioxide and solvent dimethylsulfoxide as well as other condition such as reacts at ambient temperature for 22 hours. The yield is 64%.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritant and may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: N1CCN(C(CC)C)CC1
(2) InChI: InChI=1/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
(3) InChIKey: ZHHCLIRTNOSAPB-UHFFFAOYAC