chempirical

Octopamine

C8H11NO2CAS 104-14-3153.18 g/mol

Open in Covalent MOL file
H2NHOOH
AlcoholPhenolPrimary amine

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
157–158 °C
logP
0.38Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
104-14-3
SMILES
NCC(O)c1ccc(O)cc1
InChIKey
QHGUCRYDKWKLMG-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2

Weigh it out

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

Names and synonyms

25 names · show all
  • Benzenemethanol, α-(aminomethyl)-4-hydroxy-
  • Benzyl alcohol, α-(aminomethyl)-p-hydroxy-
  • α-(Aminomethyl)-4-hydroxybenzenemethanol
  • α-(Aminomethyl)-p-hydroxybenzyl alcohol
  • 1-(p-Hydroxyphenyl)-2-aminoethanol
  • p-Hydroxyphenylethanolamine
  • Norden
  • Norphen
  • Norsympathol
  • Norsynephrine
  • p-Octopamine
  • Norsympatol
  • 4-Hydroxyphenethanolamine
  • Analet
  • Norton
  • ND 50
  • β-Hydroxy-β-(4-hydroxyphenyl)ethylamine
  • DL-Octopamine
  • (±)-Octopamine
  • Win 5512
  • (RS)-Octopamine
  • Racemic octopamine
  • 4-[2-Amino-1-hydroxyethyl]phenol
  • 2-Amino-1-(4-hydroxyphenyl)ethanol
  • (±)-Norsynephrine

Work with Octopamine

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

(±)-Octopamine hydrochloride770-05-888 % similar (-)-Phenylethanolamine2549-14-663 % similar Phenylethanolamine7568-93-663 % similar (±)-Norepinephrine138-65-858 % similar Noradrenaline51-41-258 % similar 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride15308-34-656 % similar 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride4779-94-656 % similar Synephrine582-84-353 % similar

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

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,4-Dimethoxyaniline2735-04-8 Ethyl 5-methylpyrrole-2-carboxylate3284-51-3 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6 Dopamine51-61-6

Elsewhere

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