3,4-Dihydroxybenzylamine hydrobromide

C₇H₁₀BrNO₂CAS 16290-26-9220.07 g/mol

Open in Covalent MOL file

Phenol Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

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

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

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

Dopamine 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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