Hordenine hydrochloride

C₁₀H₁₆ClNOCAS 6027-23-2201.69 g/mol

Open in Covalent MOL file

Phenol Tertiary amine

Properties

Molecular formula: C₁₀H₁₆ClNO
Molar mass: 201.69 g/mol
Exact mass: 201.0920 Da
Melting point: 177–181 °C
logP: 1.92Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6027-23-2

SMILES

CN(C)CCc1ccc(O)cc1.Cl

InChIKey

KIZRJFIRFPIRFS-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

N,N-Dimethyltyramine hydrochloride
Phenol, 4-[2-(dimethylamino)ethyl]-, hydrochloride (1:1)
Phenol, p-[2-(dimethylamino)ethyl]-, hydrochloride
Phenol, 4-[2-(dimethylamino)ethyl]-, hydrochloride

Work with Hordenine 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.

Hordenine539-15-1Free base Hordenine sulfate622-64-0Salt

Similar compounds

N,N-Dimethylphenethylamine hydrochloride10275-21-562 % similar Tyramine hydrochloride60-19-552 % similar N-Methyltyramine hydrochloride13062-76-552 % similar 4-Propylphenol645-56-747 % similar 4-Butylphenol1638-22-844 % similar 4-Ethylphenol123-07-943 % similar Tyrosol501-94-043 % similar Bisphenol F620-92-843 % similar

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

Same formula

Edrophonium chloride116-38-1 Dl-Ephedrine hydrochloride134-71-4 (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride24221-86-1 Pseudoephedrine hydrochloride345-78-8 (-)-Ephedrine hydrochloride50-98-6 6-Aminothymol hydrochloride6321-11-5

Elsewhere

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