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

C₈H₁₂BrNO₃CAS 636-00-0250.09 g/mol

Open in Covalent MOL file

Phenol Primary 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 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 2

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

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

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

Dopamine 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 2-(2-Chlorophenyl)ethylamine13078-80-335 % similar 5,6-Dihydroxyindoline29539-03-535 % similar Serotonin50-67-935 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook