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CAS No.: | 106576-37-8 |
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Name: | (S)-2-ISOBUTYL-PIPERAZINE |
Molecular Structure: | |
Formula: | C8H18N2 |
Molecular Weight: | 142.2419 |
Synonyms: | (2S)-2-Isobutylpiperazine;(S)-2-Isobutyl-piperazine;(2S)-2-(2-Methylpropyl)piperazine;S-2-Isobutylpiperazine; |
Density: | 0.839 g/cm3 |
Boiling Point: | 196.09 °C at 760 mmHg |
Flash Point: | 70.726 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 24.06000 |
LogP: | 1.25150 |
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The Piperazine, 2-(2-methylpropyl)-, (2S)-, with CAS registry number of 106576-37-8, is also known as (S)-2-Isobutyl-piperazine. Its systematic name name is (2S)-2-Isobutylpiperazine. Its molecular formula is C8H18N2, and its molecular weight is 142.2419.
Physical properties about Piperazine, 2-(2-methylpropyl)-, (2S)-, are: (1) ACD/LogP: 0.41; (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): 1; (7) # H bond acceptors: 2; (8) # H bond donors: 2; (9) # Freely Rotating Bonds: 2; (10) Polar Surface Area: 24.06 Å2; (11) Index of Refraction: 1.429; (12) Molar Refractivity: 43.694 cm3; (13) Molar Volume: 169.482 cm3; (14) Polarizability: 17.322×10-24 cm3; (15) Surface Tension: 27.151; (16) dyne/cm Density: 0.839 g/cm3; (17) Flash Point: 70.726 °C; (18) Enthalpy of Vaporization: 43.229 kJ/mol; (19) Boiling Point: 196.09 °C at 760 mmHg; (20) Vapour Pressure: 0.406 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)C[C@H]1CNCCN1
(2) InChI: InChI=1/C8H18N2/c1-7(2)5-8-6-9-3-4-10-8/h7-10H,3-6H2,1-2H3/t8-/m0/s1
(3) InChIKey: BYYCSTYYULCJLQ-QMMMGPOBBF