chempirical

Synephrine

C9H13NO2CAS 94-07-5167.21 g/mol

Open in Covalent MOL file
HNHOOH
AlcoholPhenolSecondary amine

Properties

Molecular formula
C9H13NO2
Molar mass
167.21 g/mol
Exact mass
167.0946 Da
Melting point
184.5 °C
logP
0.65Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
94-07-5
SMILES
CNCC(O)c1ccc(O)cc1
InChIKey
YRCWQPVGYLYSOX-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3

Weigh it out

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

Names and synonyms

29 names · show all
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-
  • Benzyl alcohol, p-hydroxy-α-[(methylamino)methyl]-
  • 4-Hydroxy-α-[(methylamino)methyl]benzenemethanol
  • Analeptin
  • p-Hydroxy-α-[(methylamino)methyl]benzyl alcohol
  • 1-(4-Hydroxyphenyl)-N-methylethanolamine
  • β-Methylamino-α-(4-hydroxyphenyl)ethyl alcohol
  • Oxedrine
  • Parasympatol
  • Simpalon
  • Sympathol
  • Synephrin
  • Synthenate
  • Simpatol
  • S 38537-9
  • Sympaethamine
  • Sympaethamin
  • 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol
  • Dl-1-(4-Hydroxyphenyl)-2-(methylamino)ethanol
  • (±)-Synephrine
  • (±)-N-Methyloctopamine
  • (±)-S38537-9
  • DL-Synephrine
  • 1-Hydroxy-4-[(1-hydroxy-2-methylamino)ethyl]benzene
  • Ethaphene
  • NSC 166285
  • NSC 170956
  • N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylamine
  • Advantra Z

Work with Synephrine

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

Synephrine582-84-3100 % similar Synephrine hydrochloride5985-28-490 % similar Synephrine tartrate16589-24-574 % similar (-)-Phenylephrine59-42-765 % similar (±)-Adrenaline329-65-762 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-462 % similar (-)-Phenylephrine hydrochloride61-76-759 % similar (±)-Epinephrine hydrochloride329-63-557 % similar

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

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1 2,5-Dimethoxybenzenemethanamine3275-95-4 2,3-Dimethoxybenzylamine4393-09-3 (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-8

Elsewhere

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