Selegiline

C₁₃H₁₇NCAS 14611-51-9187.29 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₁₃H₁₇N
Molar mass: 187.29 g/mol
Exact mass: 187.1361 Da
Melting point: 137.5–139 °C
Boiling point: 92–93 °C (at 0.8 Torr)
pKa: 7.48
logP: 2.18Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H411 Toxic to aquatic life with long lasting effects99.1% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

14611-51-9

SMILES

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

InChIKey

MEZLKOACVSPNER-GFCCVEGCSA-N

InChI

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

Weigh it out

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

Names and synonyms

18 names · show all

Benzeneethanamine, N,α-dimethyl-N-2-propyn-1-yl-, (αR)-
Phenethylamine, N,α-dimethyl-N-2-propynyl-, L-(-)-
Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (R)-
Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (αR)-
(αR)-N,α-Dimethyl-N-2-propyn-1-ylbenzeneethanamine
(-)-Deprenyl
(-)-Deprenil
(R)-(-)-Deprenyl
l-Deprenyl
(-)-Selegiline
Anipryl
Selgene
(R)-Selegiline
Zelapar
Emsam TTS
Selegina
Emsam
(R)-Deprenyl

Work with Selegiline

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.

Selegiline hydrochloride14611-52-0Salt

Similar compounds

Pargyline hydrochloride306-07-046 % similar Isobutylbenzene538-93-240 % similar 4-Phenyl-1-butyne16520-62-039 % similar 5-Phenyl-1-pentyne1823-14-938 % similar 2-Methyl-3-phenylpropionaldehyde5445-77-238 % similar 1-Phenyl-2-propanol14898-87-437 % similar (S)-1-Phenyl-2-propanol1517-68-637 % similar (R)-1-Phenyl-2-propanol1572-95-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,4,5,6,7,8-Octahydroacridine1658-08-8 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine32018-56-7 1-Butyl-2-methyl-1H-indole42951-35-9

Elsewhere

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