chempirical

(±)-Adrenaline

C9H13NO3CAS 329-65-7183.21 g/mol

Open in Covalent MOL file
HNHOOHOH
AlcoholSecondary Amine

Properties

Molecular formula
C9H13NO3
Molar mass
183.21 g/mol
Exact mass
183.0895 Da
Melting point
212 °C
logP
0.35Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Identifiers

CAS number
329-65-7
SMILES
CNCC(O)c1ccc(O)c(O)c1
InChIKey
UCTWMZQNUQWSLP-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-
  • Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, (±)-
  • 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (±)-
  • 4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
  • Epirenamine
  • Dl-Epinephrine
  • (±)-Epinephrine
  • Dl-Adrenaline
  • Racepinefrine
  • 2-(Methylamino)-1-(3,4-dihydroxyphenyl)ethanol
  • 1-(3,4-Dihydroxy)phenyl-2-methylaminoethanol
  • Racepinephrine
  • 2-Hydroxy-4-[1-hydroxy-2-(methylazaniumyl)ethyl]phenolate

Work with (±)-Adrenaline

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

Same formula

3,4,5-Trimethoxyaniline24313-88-0 (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-4 1,1-Dimethylethyl N-3-furanylcarbamate56267-48-2

Elsewhere

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