chempirical

Synephrine hydrochloride

C9H14ClNO2CAS 5985-28-4203.67 g/mol

Open in Covalent MOL file
HNHOOHHCl
AlcoholPhenolSecondary amine

Properties

Molecular formula
C9H14ClNO2
Molar mass
203.67 g/mol
Exact mass
203.0713 Da
Melting point
151–152 °C
logP
1.07Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5985-28-4
SMILES
CNCC(O)c1ccc(O)cc1.Cl
InChIKey
COTCEGYSNTWJQV-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1)
  • Benzyl alcohol, p-hydroxy-α-[(methylamino)methyl]-, hydrochloride
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride
  • p-Hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride
  • Oxedrine hydrochloride

Work with Synephrine 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

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.

Synephrine94-07-5Free base Synephrine582-84-3Free base Synephrine tartrate16589-24-5Salt

Similar compounds

(±)-Epinephrine hydrochloride329-63-565 % similar (-)-Epinephrine hydrochloride55-31-265 % similar (-)-Phenylephrine59-42-759 % similar (±)-Octopamine hydrochloride770-05-857 % similar Ractopamine hydrochloride90274-24-157 % similar (±)-Adrenaline329-65-757 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-457 % similar N-Methyltyramine hydrochloride13062-76-550 % similar

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

Same formula

3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-5 2,4-Dimethoxybenzylamine hydrochloride20781-21-9 D-Tyrosinol hydrochloride40829-04-7 (-)-Phenylephrine hydrochloride61-76-7 Methyldopamine hydrochloride62-32-8 1-(2-Aminoethoxy)-2-methoxybenzene hydrochloride64464-07-9 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-0 4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride87745-27-5

Elsewhere

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