Dyclonine

C₁₈H₂₈ClNO₂CAS 536-43-6325.88 g/mol

Open in Covalent MOL file

Ether Ketone Tertiary amine

Properties

Molecular formula: C₁₈H₂₈ClNO₂
Molar mass: 325.88 g/mol
Exact mass: 325.1809 Da
Melting point: 175–176 °C
logP: 4.35Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

536-43-6

SMILES

CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl

InChIKey

KNZADIMHVBBPOA-UHFFFAOYSA-N

InChI

InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H

Weigh it out

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

Names and synonyms

12 names

1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
Propiophenone, 4′-butoxy-3-piperidino-, hydrochloride
1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride
4′-Butoxy-3-piperidinopropiophenone hydrochloride
Dyclone
Dyclonine hydrochloride
Diclonina
Dyclothane
Tanaclone
Dyclocaine hydrochloride
Diclonine
1-(4-Butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride

Work with Dyclonine

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.

Dyclonine586-60-7Free base

Similar compounds

Pramoxine hydrochloride637-58-159 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-954 % similar 1-(4-Butoxyphenyl)ethanone5736-89-051 % similar 4-Butoxybenzoic acid1498-96-050 % similar 4-Butoxybenzoyl chloride33863-86-450 % similar 4-(Hexyloxy)benzoic acid1142-39-848 % similar 4-(Heptyloxy)benzoic acid15872-42-148 % similar 4-(Nonyloxy)benzoic acid15872-43-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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