Eutylone hydrochloride

C13H18ClNO3CAS 17764-18-0271.74 g/mol

Open in Covalent MOL file
OOONHHCl
AcetalEtherKetoneSecondary amine

Properties

Molecular formula
C13H18ClNO3
Molar mass
271.74 g/mol
Exact mass
271.0975 Da
logP
2.41Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
17764-18-0
SMILES
CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC.Cl
InChIKey
LZTAJXOEHCOKDE-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO3.ClH/c1-3-10(14-4-2)13(15)9-5-6-11-12(7-9)17-8-16-11;/h5-7,10,14H,3-4,8H2,1-2H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Eutylone (hydrochloride)

Work with Eutylone 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Eutylone802855-66-9Free base

Similar compounds

1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-052 % similar Methylone186028-79-552 % similar Methylenedioxypyrovalerone hydrochloride24622-62-652 % similar 3,4-Methylenedioxypropiophenone28281-49-446 % similar 5-Acetyl-1,3-benzodioxole3162-29-645 % similar 1-(Benzo[D][1,3]dioxol-5-yl)pentan-1-one63740-98-742 % similar Piperonyloyl chloride25054-53-942 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibutylone hydrochloride17763-12-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook