3-Methoxy-4-hydroxybenzylamine hydrochloride

C8H12ClNO2CAS 7149-10-2189.64 g/mol

Open in Covalent MOL file
ONH2HOHCl
EtherPhenolPrimary amine

Properties

Molecular formula
C8H12ClNO2
Molar mass
189.64 g/mol
Exact mass
189.0557 Da
Melting point
227 °C
logP
1.28Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
7149-10-2
SMILES
COc1cc(CN)ccc1O.Cl
InChIKey
PUDMGOSXPCMUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H

Weigh it out

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

Names and synonyms

11 names
  • Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)
  • p-Cresol, α-amino-2-methoxy-, hydrochloride
  • Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride
  • Creosol, α-amino-, hydrochloride
  • Vanillylamine hydrochloride
  • 4-(Aminomethyl)-2-methoxyphenol hydrochloride
  • α-Aminocreosol hydrochloride
  • α-Amino-2-methoxy-p-cresol hydrochloride
  • 4-Hydroxy-3-methoxybenzylamine hydrochloride
  • 4-Hydroxy-3-methoxybenzylamine monohydrochloride
  • (4-Hydroxy-3-methoxyphenyl)methanaminium chloride

Work with 3-Methoxy-4-hydroxybenzylamine 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

3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-573 % similar Veratrylamine5763-61-167 % similar 3-Methoxytyramine554-52-965 % similar 4-Ethylguaiacol2785-89-961 % similar Vanillyl alcohol498-00-061 % similar 3-Chloro-4-methoxybenzylamine hydrochloride41965-95-159 % similar Homovanillyl alcohol2380-78-158 % similar 4-Propylguaiacol2785-87-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Deoxypyridoxine148-51-6 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride15308-34-6 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride4779-94-6 1-Acetylpiperidine-4-carbonyl chloride59084-16-1 Dopamine hydrochloride62-31-7 (±)-Octopamine hydrochloride770-05-8 O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-5

Elsewhere

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