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124192-87-6

124192-87-6 | 1H-Inden-1-amine, 2,3-dihydro-N-methyl-N-2-propyn-1-yl-, (1R)-

CAS No: 124192-87-6 Catalog No: AG000LNN MDL No:MFCD07367857

Product Description

Catalog Number:
AG000LNN
Chemical Name:
1H-Inden-1-amine, 2,3-dihydro-N-methyl-N-2-propyn-1-yl-, (1R)-
CAS Number:
124192-87-6
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD07367857
IUPAC Name:
(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
InChI:
InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
InChI Key:
CSVGVHNFFZWQJU-CYBMUJFWSA-N
SMILES:
C#CCN([C@@H]1CCc2c1cccc2)C
UNII:
1Y7XS87IZR

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds. Bioorganic & medicinal chemistry letters 20051015
Inactivation of purified human recombinant monoamine oxidases A and B by rasagiline and its analogues. Journal of medicinal chemistry 20040325
Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class. Journal of medicinal chemistry 20040325
Novel dual inhibitors of AChE and MAO derived from hydroxy aminoindan and phenethylamine as potential treatment for Alzheimer's disease. Journal of medicinal chemistry 20021121

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