chempirical

Dopamine hydrobromide

C8H12BrNO2CAS 645-31-8234.09 g/mol

Open in Covalent MOL file
HBrH2NOHOH
PhenolPrimary amine

Properties

Molecular formula
C8H12BrNO2
Molar mass
234.09 g/mol
Exact mass
233.0051 Da
Melting point
212 °C
logP
1.18Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
645-31-8
SMILES
Br.NCCc1ccc(O)c(O)c1
InChIKey
SGRSNYSOAPBTJP-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2.BrH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide (1:1)
  • Pyrocatechol, 4-(2-aminoethyl)-, hydrobromide
  • 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide
  • 3-Hydroxytyramine hydrobromide
  • 3,4-Dihydroxy-phenethylamine hydrobromide

Work with Dopamine hydrobromide

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

Dopamine51-61-688 % similar Dopamine hydrochloride62-31-779 % similar 3,4-Dihydroxybenzylamine hydrobromide16290-26-967 % similar 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrobromide636-00-056 % similar 3-Methoxytyramine554-52-956 % similar Hydroxytyrosol10597-60-155 % similar 3-O-Methyldopamine hydrochloride1477-68-551 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-051 % similar

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

Elsewhere

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