Methylenedioxypyrovalerone hydrochloride

C₁₆H₂₂ClNO₃CAS 24622-62-6311.81 g/mol

Open in Covalent MOL file

Acetal Ether Ketone Tertiary amine

Properties

Molecular formula: C₁₆H₂₂ClNO₃
Molar mass: 311.81 g/mol
Exact mass: 311.1288 Da
logP: 3.28Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers
H400 Very toxic to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P391, P501

Identifiers

CAS number

24622-62-6

SMILES

CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3.Cl

InChIKey

PYQZNWFQAMFAMT-UHFFFAOYSA-N

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

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Names and synonyms

1 names

1-(3',4'-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride

Work with Methylenedioxypyrovalerone hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibutylone hydrochloride17763-12-162 % similar Eutylone hydrochloride17764-18-052 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-049 % similar 1-(Benzo[D][1,3]dioxol-5-yl)pentan-1-one63740-98-748 % similar Eutylone802855-66-946 % similar Methylone186028-79-546 % similar 3,4-Methylenedioxypropiophenone28281-49-443 % similar 5-Acetyl-1,3-benzodioxole3162-29-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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