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| CAS No.: | 24622-62-6 |
|---|---|
| Name: | 1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C16H21NO3.HCl |
| Molecular Weight: | 311.809 |
| Synonyms: | Methylenedioxypyrovalerone(MDPV);Valerophenone, 3',4'-(methylenedioxy)-2-(1-pyrrolidinyl)-, hydrochloride (8CI);1-Pentanone,1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)-, hydrochloride (9CI);1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride; |
| Density: | 0.951 g/cm3 |
| Melting Point: | 229-234°C |
| Boiling Point: | 415.5 °C at 760 mmHg |
| Flash Point: | 205.1 °C |
| Hazard Symbols: | Xi,N,T,F |
| Risk Codes: | 41-50-39/23/24/25-23/24/25-11 |
| Safety: | 26-39-61-45-36/37-16 |
| PSA: | 38.77000 |
| LogP: | 3.60240 |
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Specification
1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride, with the CAS registry number 24622-62-6, is also known as 1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanone hydrochloride. This chemical's molecular formula is C16H21NO3.HCl and molecular weight is 311.81. Its IUPAC name is called 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylpentan-1-one hydrochloride. Methylenedioxypyrovalerone (MDPV) is an analog of pyrovalerone which includes the 3,4-methylenedioxy moiety found on 3,4-methylenedioxymethamphetamine, a DEA Schedule I controlled substance.It id a white solid.
Physical properties of 1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride:
(1)ACD/LogP: 3.202; (2)ACD/LogD (pH 5.5): 3.20; (3)ACD/LogD (pH 7.4): 3.20; (4)ACD/BCF (pH 5.5): 159.84; (5)ACD/BCF (pH 7.4): 159.84; (6)ACD/KOC (pH 5.5): 1315.24; (7)ACD/KOC (pH 7.4): 1315.24; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 50.179 cm3; (12)Molar Volume: 170.484 cm3; (13)Polarizability: 19.893 10-24cm3; (14)Surface Tension: 34.0449981689453; (15)dyne/cm Density: 0.952 g/cm3; (16)Flash Point: 99.692 °C; (17)Enthalpy of Vaporization: 48.57 kJ/mol; (18)Boiling Point: 248.499 °C at 760 mmHg; (19)Vapour Pressure: 0.0240000002086163 mmHg at 25°C.
Uses of 1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride:
Methylenedioxy Pyrovalerone is a psychoactive drug with stimulant properties which acts as a norepinephrine-dopamine reuptake inhibitor (NDRI). Reportedly, it has been sold since around 2004 as a designer drug. It is also known as MDPK, MTV, Magic, Maddie, Black Rob, Super Coke and PV. In 2010, "bath salts" containing MDPV were reportedly sold as a legal drug alternative.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3.Cl
(2)InChI: InChI=1S/C16H21NO3.ClH/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14;/h6-7,10,13H,2-5,8-9,11H2,1H3;1H
(3)InChIKey: PYQZNWFQAMFAMT-UHFFFAOYSA-N