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| CAS No.: | 7780-20-3 |
|---|---|
| Name: | piperine |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C17H19NO3 |
| Molecular Weight: | 285.343 |
| Synonyms: | 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2, 4-pentadienyl]piperidine;Piperidine, 1-piperoyl- (7CI,8CI);Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]- (9CI); |
| EINECS: | 202-348-0 |
| Density: | 1.212 g/cm3 |
| Melting Point: | 128-132℃ |
| Boiling Point: | 498.524 °C at 760 mmHg |
| Flash Point: | 255.298 °C |
| Solubility: | 40 mg/L (18℃) |
| Appearance: | slightly yellow powder |
| Hazard Symbols: | R21/22:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 38.77000 |
| LogP: | 2.93510 |
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Specification
The Piperoylpiperidine, with the CAS registry number 7780-20-3, is also known as 1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine. This chemical's molecular formula is C17H19NO3 and molecular weight is 285.34. What's more, its systematic name is 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one. This chemical is used to increase gastrointestinal assimilation of other agents.
Physical properties of Piperoylpiperidine are: (1)ACD/LogP: 3.365; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 212.45; (6)ACD/BCF (pH 7.4): 212.45; (7)ACD/KOC (pH 5.5): 1612.34; (8)ACD/KOC (pH 7.4): 1612.34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 82.143 cm3; (15)Molar Volume: 235.433 cm3; (16)Polarizability: 32.564×10-24cm3; (17)Surface Tension: 51.0 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 255.298 °C; (20)Enthalpy of Vaporization: 76.672 kJ/mol; (21)Boiling Point: 498.524 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCCC1)C=CC=Cc2ccc3OCOc3c2
(2)Std. InChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2
(3)Std. InChIKey: MXXWOMGUGJBKIW-UHFFFAOYSA-N