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| CAS No.: | 163596-56-3 |
|---|---|
| Name: | CINNAMYL PIEPRAZINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C13H18N2·2ClH |
| Molecular Weight: | 238.76 |
| Synonyms: | 1-[(2E)-3-Phenyl-2-propen-1-yl]piperazine dihydrochloride;Piperazine, 1-(3-phenyl-2-propenyl)-, dihydrochloride, (E)- (9CI); |
| Melting Point: | 274 - 276 °C |
| Boiling Point: | 402 °C at 760 mmHg |
| Flash Point: | 196.9 °C |
| Appearance: | Gray power |
| PSA: | 15.27000 |
| LogP: | 2.67370 |
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Specification
The 1-Cinnamylpiperazine dihydrochloride, with the CAS registry number 163596-56-3, is also known as Piperazine, 1-(3-phenyl-2-propenyl)-, dihydrochloride, (E)- (9CI). This chemical's molecular formula is C13H18N2·2ClH and molecular weight is 274.10. What's more, its systematic name is 1-[(2E)-3-Phenyl-2-propen-1-yl]piperazine dihydrochloride.
Physical properties of 1-Cinnamylpiperazine dihydrochloride are: (1)ACD/LogP: 2.045; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 15.27 Å2; (7)Flash Point: 196.9 °C; (8)Enthalpy of Vaporization: 66.58 kJ/mol; (9)Boiling Point: 402 °C at 760 mmHg; (10)Vapour Pressure: 7.43E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.C(=C/CN1CCNCC1)\c2ccccc2
(2)Std. InChI: InChI=1S/C13H18N2.2ClH/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15;;/h1-7,14H,8-12H2;2*1H/b7-4+;;
(3)Std. InChIKey: PRCFTTDNUVTMRS-RDRKJGRWSA-N