N-Methyltyramine hydrochloride

C₉H₁₄ClNOCAS 13062-76-5187.67 g/mol

Open in Covalent MOL file

Phenol Secondary amine

Properties

Molecular formula: C₉H₁₄ClNO
Molar mass: 187.67 g/mol
Exact mass: 187.0764 Da
Melting point: 145–147 °C
logP: 1.58Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13062-76-5

SMILES

CNCCc1ccc(O)cc1.Cl

InChIKey

JNZSSRZVHCKFLK-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO.ClH/c1-10-7-6-8-2-4-9(11)5-3-8;/h2-5,10-11H,6-7H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Phenol, 4-[2-(methylamino)ethyl]-, hydrochloride (1:1)
Phenol, p-[2-(methylamino)ethyl]-, hydrochloride
Phenol, 4-[2-(methylamino)ethyl]-, hydrochloride

Work with N-Methyltyramine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Methyltyramine370-98-9Free base

Similar compounds

Methyldopamine hydrochloride62-32-864 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-153 % similar N-Methylphenethylamine589-08-252 % similar Tyramine hydrochloride60-19-552 % similar Hordenine hydrochloride6027-23-252 % similar Ritodrine hydrochloride23239-51-250 % similar Synephrine hydrochloride5985-28-450 % similar N-Methyl-4-pyridineethanamine55496-55-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylpropanolamine hydrochloride154-41-6 D-(-)-Norephedrine hydrochloride3198-15-0 [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-7

Elsewhere

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