3,4-Dihydroxybenzylamine hydrobromide

C7H10BrNO2CAS 16290-26-9220.07 g/mol

Open in Covalent MOL file
HBrH2NOHOH
PhenolPrimary amine

Properties

Molecular formula
C7H10BrNO2
Molar mass
220.07 g/mol
Exact mass
218.9895 Da
logP
1.13Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
16290-26-9
SMILES
Br.NCc1ccc(O)c(O)c1
InChIKey
BVFZTXFCZAXSHN-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H

Weigh it out

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Names and synonyms

4 names
  • 1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
  • Pyrocatechol, 4-(aminomethyl)-, hydrobromide
  • 1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide
  • 4-(Aminomethyl)catechol hydrobromide

Work with 3,4-Dihydroxybenzylamine 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 hydrobromide645-31-867 % similar Dopamine51-61-657 % similar 3,4-Dihydroxybenzyl alcohol3897-89-052 % similar Dopamine hydrochloride62-31-752 % similar 4-Ethyl-1,2-benzenediol1124-39-650 % similar 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-249 % similar Hydroxytyrosol10597-60-148 % similar Hydroxychavicol1126-61-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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