Home > Compound List > Compound details
56862-28-3 molecular structure
click picture or here to close

[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine

ChemBase ID: 165754
Molecular Formular: C12H15N
Molecular Mass: 173.2542
Monoisotopic Mass: 173.12044949
SMILES and InChIs

SMILES:
c1cccc(c1)C[C@H](NCC#C)C
Canonical SMILES:
C[C@H](Cc1ccccc1)NCC#C
InChI:
InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3/t11-/m1/s1
InChIKey:
UUFAJPMQSFXDFR-LLVKDONJSA-N

Cite this record

CBID:165754 http://www.chembase.cn/molecule-165754.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine
IUPAC Traditional name
norselegiline
Synonyms
(αR)-α-Methyl-N-2-propyn-1-yl-benzeneethanamine
(-)-Desmethylselegiline
(-)-N-Desmethylselegiline
Desmethylselegiline
L-Desmethyldeprenyl
L-Nordeprenyl
N-Desmethylselegiline
Norselegiline
R-(-)-N-Demethyl Deprenyl
CAS Number
56862-28-3
PubChem SID
162259887
PubChem CID
185859

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D230920 external link Add to cart
PubChem 185859 external link
Data Source Data ID Price
TRC
D230920 external link Add to cart Please log in.
Data Source Data ID
PubChem 185859 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.60767007  LogD (pH = 7.4) 0.8039187 
Log P 2.4649138  Molar Refractivity 56.06 cm3
Polarizability 21.794731 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D230920 external link
A metabolite of Deprenyl (D288641) (Selegiline).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Dyck, L., et al.: Drug Metab. Dispos., 29, 1156 (2001)
  • • Damaj, M., et al.: J. Pharmacol. Exp. Ther., 320, 250 (2001)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle