Selegiline hydrochloride

C₁₃H₁₈ClNCAS 14611-52-0223.74 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₁₃H₁₈ClN
Molar mass: 223.74 g/mol
Exact mass: 223.1128 Da
Melting point: 141–142 °C
logP: 2.60Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H302 Harmful if swallowed85.7% of notifiers
H315 Causes skin irritation42.9% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H336 May cause drowsiness or dizziness28.6% of notifiers
H361d Suspected of damaging the unborn child14.3% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure14.3% of notifiers
H411 Toxic to aquatic life with long lasting effects57.1% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P390, P391, P403+P233, P405, P406, P501

Identifiers

CAS number

14611-52-0

SMILES

C#CCN(C)[C@H](C)Cc1ccccc1.Cl

InChIKey

IYETZZCWLLUHIJ-UTONKHPSSA-N

InChI

InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1

Weigh it out

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

Names and synonyms

16 names · show all

Benzeneethanamine, N,α-dimethyl-N-2-propyn-1-yl-, hydrochloride (1:1), (αR)-
Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, hydrochloride, (R)-
Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, hydrochloride, (αR)-
(-)-Deprenil hydrochloride
l-Deprenyl hydrochloride
(-)-Deprenyl hydrochloride
Eldepryl
Movergan
Eldeprine
Jumex
Plurimen
FP Tablet 2.5
R-Selegiline hydrochloride
Tonus
(R)-(-)-Deprenyl hydrochloride
(R)-N-Methyl-N-(1-phenylpropan-2-yl)prop-2-yn-1-amine hydrochloride

Work with Selegiline 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.

Selegiline14611-51-9Free base

Similar compounds

Pargyline hydrochloride306-07-054 % similar N,α-Dimethylphenethylamine hydrochloride300-42-540 % similar 1-Amino-2-methylindoline hydrochloride102789-79-737 % similar Isobutylbenzene538-93-237 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-537 % similar 4-Phenyl-1-butyne16520-62-036 % similar (R,R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride1247119-31-836 % similar 5-Phenyl-1-pentyne1823-14-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook