chempirical

Adiphenine hydrochloride

C20H26ClNO2CAS 50-42-0347.88 g/mol

Open in Covalent MOL file
NOOHCl
EsterTertiary amine

Properties

Molecular formula
C20H26ClNO2
Molar mass
347.88 g/mol
Exact mass
347.1652 Da
Melting point
113.5 °C
logP
4.13Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
50-42-0
SMILES
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIKey
LKPINBXAWIMZCG-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H

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Names and synonyms

18 names · show all
  • Benzeneacetic acid, α-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
  • Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester hydrochloride
  • Benzeneacetic acid, α-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
  • 2-Diethylaminoethyl diphenylacetate hydrochloride
  • Difacil hydrochloride
  • Diphacil hydrochloride
  • Patrovina
  • Sentiv
  • Spasnil
  • Trasentine hydrochloride
  • Spasmolytin hydrochloride
  • Adifenin hydrochloride
  • Adiphen hydrochloride
  • Spasmolytin
  • Trasentin hydrochloride
  • Vegantin
  • β-Diethylaminoethyl diphenylacetate hydrochloride
  • NSC 129224

Work with Adiphenine 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

Benactyzine hydrochloride57-37-454 % similar Procaine hydrochloride51-05-848 % similar Cyclopentolate hydrochloride5870-29-146 % similar Ethyl D-phenylglycinate hydrochloride17609-48-246 % similar Methyl α-phenylbenzeneacetate3469-00-945 % similar Naftidrofuryl31329-57-443 % similar Proparacaine hydrochloride5875-06-942 % similar Diethyl phenylmalonate83-13-642 % similar

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

Same formula

(2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride149690-12-0

Elsewhere

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