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Home > Indoles and Oxindole > 13228-41-6

13228-41-6

13228-41-6 | 1H-Indole, 2-propyl-

CAS No: 13228-41-6 Catalog No: AG0010HI MDL No:

Product Description

Catalog Number:
AG0010HI
Chemical Name:
1H-Indole, 2-propyl-
CAS Number:
13228-41-6
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
2-propyl-1H-indole
InChI:
InChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8,12H,2,5H2,1H3
InChI Key:
HJENUMMIFDMCEN-UHFFFAOYSA-N
SMILES:
CCCc1cc2c([nH]1)cccc2

Properties

Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Literature

Title Journal
Characterizing the disposition, metabolism, and excretion of an orally active pan-deacetylase inhibitor, panobinostat, via trace radiolabeled 14C material in advanced cancer patients. Cancer chemotherapy and pharmacology 20121001

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