chempirical

Dibutylone hydrochloride

C13H18ClNO3CAS 17763-12-1271.74 g/mol

Open in Covalent MOL file
OOONHCl
AcetalEtherKetoneTertiary amine

Properties

Molecular formula
C13H18ClNO3
Molar mass
271.74 g/mol
Exact mass
271.0975 Da
logP
2.36Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17763-12-1
SMILES
CCC(C(=O)C1=CC2=C(C=C1)OCO2)N(C)C.Cl
InChIKey
LLAFASVUPHWNTH-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO3.ClH/c1-4-10(14(2)3)13(15)9-5-6-11-12(7-9)17-8-16-11;/h5-7,10H,4,8H2,1-3H3;1H

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Names and synonyms

1 names
  • Bk-dmbdb (hydrochloride)

Work with Dibutylone 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

Methylenedioxypyrovalerone hydrochloride24622-62-662 % similar Eutylone802855-66-956 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-053 % similar Methylone186028-79-550 % similar 3,4-Methylenedioxypropiophenone28281-49-447 % similar 5-Acetyl-1,3-benzodioxole3162-29-646 % similar 1-(Benzo[D][1,3]dioxol-5-yl)pentan-1-one63740-98-743 % similar Piperonyloyl chloride25054-53-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Eutylone hydrochloride17764-18-0

Elsewhere

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