chempirical

Dopamine

C8H11NO2CAS 51-61-6153.18 g/mol

Open in Covalent MOL file
H2NOHOH
PhenolPrimary amine

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
128 °C
Boiling point
227 °C
logP
0.60Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
51-61-6
SMILES
NCCc1ccc(O)c(O)c1
InChIKey
VYFYYTLLBUKUHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Weigh it out

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

Names and synonyms

18 names · show all
  • 1,2-Benzenediol, 4-(2-aminoethyl)-
  • Pyrocatechol, 4-(2-aminoethyl)-
  • 4-(2-Aminoethyl)-1,2-benzenediol
  • 4-(2-Aminoethyl)pyrocatechol
  • DA
  • 3,4-Dihydroxyphenethylamine
  • 3,4-Dihydroxyphenylethylamine
  • 3-Hydroxytyramine
  • Oxytyramine
  • 2-(3,4-Dihydroxyphenyl)ethylamine
  • α-(3,4-Dihydroxyphenyl)-β-aminoethane
  • Dopamin
  • Hydroxytyramin
  • 4-(2-Aminoethyl)catechol
  • Dophamine
  • NSC 173182
  • 2-(3,4-Dihydroxyphenyl)-1-ethanamine
  • Duobaan

Work with Dopamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dopamine hydrochloride62-31-788 % similar Dopamine hydrobromide645-31-888 % similar Hydroxytyrosol10597-60-161 % similar 3-Methoxytyramine554-52-961 % similar 3,4-Dihydroxybenzylamine hydrobromide16290-26-957 % similar 3-O-Methyldopamine hydrochloride1477-68-556 % similar Tyramine51-67-256 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-056 % 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 Octopamine104-14-3 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

Elsewhere

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