200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 135729-74-7
135729-74-7 | 3-{1-azabicyclo[2.2.2]octan-3-yl}-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),9,11-trien-2-one hydrochloride
CAS No: 135729-74-7 Catalog No: AG01B4LH MDL No:MFCD29738342
Product Description
Catalog Number:
AG01B4LH
Chemical Name:
3-{1-azabicyclo[2.2.2]octan-3-yl}-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),9,11-trien-2-one hydrochloride
CAS Number:
135729-74-7
Molecular Formula:
C19H25ClN2O
Molecular Weight:
332.8676
MDL Number:
MFCD29738342
IUPAC Name:
2-(1-azabicyclo[2.2.2]octan-3-yl)-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
InChI:
InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H
InChI Key:
OLDRWYVIKMSFFB-UHFFFAOYSA-N
SMILES:
O=C1N(CC2c3c1cccc3CCC2)C1CN2CCC1CC2.Cl
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.166g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.872g/mol
Monoisotopic Mass:
332.166g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.