chempirical

α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride

C9H12ClNO3CAS 62-13-5217.65 g/mol

Open in Covalent MOL file
HNOOHOHHCl
KetonePhenolSecondary amine

Properties

Molecular formula
C9H12ClNO3
Molar mass
217.65 g/mol
Exact mass
217.0506 Da
Melting point
243 °C
logP
0.92Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
62-13-5
SMILES
CNCC(=O)c1ccc(O)c(O)c1.Cl
InChIKey
CSRRBDMYOUQTCO-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H

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

Names and synonyms

10 names
  • Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
  • Acetophenone, 3′,4′-dihydroxy-2-(methylamino)-, hydrochloride
  • Adrenalone hydrochloride
  • Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride
  • Adrenone hydrochloride
  • Kephrine hydrochloride
  • α-Methylamino-3,4-dihydroxyacetophenone hydrochloride
  • Styphnonasal
  • [2-(3,4-Dihydroxyphenyl)-2-oxoethyl](methyl)azanium chloride
  • 1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride

Work with α-Methylamino-3′,4′-dihydroxyacetophenone 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

3′,4′-Dihydroxypropiophenone7451-98-158 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-154 % similar Methyldopamine hydrochloride62-32-848 % similar 3′,4′-Dihydroxyacetophenone1197-09-746 % similar (±)-Epinephrine hydrochloride329-63-544 % similar (-)-Epinephrine hydrochloride55-31-244 % similar Ethyl protocatechuate3943-89-344 % similar Methyl 3,4-dihydroxybenzoate2150-43-844 % similar

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

Same formula

(2R,3S)-3-Phenylisoserine hydrochloride132201-32-2 Tyrosine hydrochloride16870-43-2

Elsewhere

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