chempirical

Methyldopamine hydrochloride

C9H14ClNO2CAS 62-32-8203.67 g/mol

Open in Covalent MOL file
HNOHOHHCl
PhenolSecondary amine

Properties

Molecular formula
C9H14ClNO2
Molar mass
203.67 g/mol
Exact mass
203.0713 Da
Melting point
177–178 °C
logP
1.28Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
62-32-8
SMILES
CNCCc1ccc(O)c(O)c1.Cl
InChIKey
JCDRZCWRRLKLTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-, hydrochloride (1:1)
  • Pyrocatechol, 4-[2-(methylamino)ethyl]-, hydrochloride
  • 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-, hydrochloride
  • 3,4-Dihydroxyphenylethylmethylamine hydrochloride
  • Ephinine hydrochloride
  • 4-(2-Methylaminoethyl)pyrocatechol hydrochloride
  • Methyl[β-(3,4-dihydroxyphenyl)ethyl]amine hydrochloride
  • N-Methyldopamine hydrochloride
  • Epinine hydrochloride
  • Deoxyepinephrine hydrochloride
  • 4-(2-Methylaminoethyl)-1,2-benzenediol hydrochloride

Work with Methyldopamine hydrochloride

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

N-Methyltyramine hydrochloride13062-76-564 % similar Dopamine hydrochloride62-31-757 % similar N-Methyltyramine370-98-955 % similar Dobutamine hydrochloride49745-95-155 % similar Hydroxytyrosol10597-60-150 % similar N-Methylhomoveratrylamine3490-06-050 % similar (±)-Epinephrine hydrochloride329-63-549 % similar (-)-Epinephrine hydrochloride55-31-249 % similar

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

Same formula

3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-5 2,4-Dimethoxybenzylamine hydrochloride20781-21-9 D-Tyrosinol hydrochloride40829-04-7 Synephrine hydrochloride5985-28-4 (-)-Phenylephrine hydrochloride61-76-7 1-(2-Aminoethoxy)-2-methoxybenzene hydrochloride64464-07-9 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-0 4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride87745-27-5

Elsewhere

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