(±)-Octopamine hydrochloride

C8H12ClNO2CAS 770-05-8189.64 g/mol

Open in Covalent MOL file
HClH2NHOOH
AlcoholPhenolPrimary amine

Properties

Molecular formula
C8H12ClNO2
Molar mass
189.64 g/mol
Exact mass
189.0557 Da
Melting point
170 °C (decomposes)
logP
0.81Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
770-05-8
SMILES
Cl.NCC(O)c1ccc(O)cc1
InChIKey
PUMZXCBVHLCWQG-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H

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Names and synonyms

13 names · show all
  • Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride (1:1)
  • Benzyl alcohol, α-(aminomethyl)-p-hydroxy-, hydrochloride, (±)-
  • Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride, (±)-
  • Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride
  • Dl-Octopamine hydrochloride
  • DL-2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride
  • (±)-p-Octopamaine hydrochloride
  • Octopamine hydrochloride
  • 2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride
  • Epirenor
  • Norfen
  • NSC 108685
  • 4-(2-Amino-1-hydroxyethyl)phenol hydrochloride

Work with (±)-Octopamine 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.

Octopamine104-14-3Free base

Similar compounds

(±)-Norepinephrine hydrochloride55-27-662 % similar Synephrine hydrochloride5985-28-457 % similar (-)-Phenylethanolamine2549-14-657 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-157 % similar Phenylethanolamine7568-93-657 % similar (±)-Norepinephrine138-65-853 % similar Noradrenaline51-41-253 % similar Synephrine582-84-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Deoxypyridoxine148-51-6 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride15308-34-6 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride4779-94-6 1-Acetylpiperidine-4-carbonyl chloride59084-16-1 Dopamine hydrochloride62-31-7 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-2 O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-5

Elsewhere

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