Tożsamość

Selegiline HCL API

CAS 14611-51-9 · C13H17N

01Tożsamość

Lazychem ID	LC-27862
CAS RN	14611-51-9
PubChem CID	26757
Molecular formula	C13H17N
Molecular weight	187.28 g/mol
IUPAC name	(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
InChIKey	MEZLKOACVSPNER-GFCCVEGCSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Selegiline HCL API, CAS 14611-51-9 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	1
Secondary amines	0
Tertiary amines	1

SMILES	C[C@H](CC1=CC=CC=C1)N(C)CC#C
InChI	Nie podano

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.