2-(2,4,5-Trihydroxyphenyl)ethylamine hydrobromide

C8H12BrNO3CAS 636-00-0250.09 g/mol

Open in Covalent MOL file
HBrH2NOHOHHO
PhenolPrimary amine

Properties

Molecular formula
C8H12BrNO3
Molar mass
250.09 g/mol
Exact mass
249.0001 Da
logP
0.88Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
636-00-0
SMILES
Br.NCCc1cc(O)c(O)cc1O
InChIKey
MLACDGUOKDOLGC-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H

Weigh it out

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Names and synonyms

4 names
  • 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)
  • 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide
  • 6-Hydroxydopamine hydrobromide
  • 6-Hydroxydopamine hydrogen bromide

Work with 2-(2,4,5-Trihydroxyphenyl)ethylamine 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

4-(2-Aminoethyl)pyrocatechol hydrobromide645-31-856 % similar 2-(2-Aminoethyl)phenol2039-66-953 % similar Dopamine51-61-647 % similar Dopamine hydrochloride62-31-743 % similar 3,4-Dihydroxybenzylamine hydrobromide16290-26-941 % similar 5-Bromo-2-methoxyphenethylamine hydrobromide206559-44-636 % similar 2-(2-Chlorophenyl)ethylamine13078-80-335 % similar 5,6-Dihydroxyindoline29539-03-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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