200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 19446-29-8
19446-29-8 | 2-[4-(azepan-1-yl)but-2-yn-1-yl]-1h-isoindole-1,3(2h)-dione
CAS No: 19446-29-8 Catalog No: AG0074LC MDL No:
Product Description
Catalog Number:
AG0074LC
Chemical Name:
2-[4-(azepan-1-yl)but-2-yn-1-yl]-1h-isoindole-1,3(2h)-dione
CAS Number:
19446-29-8
Molecular Formula:
C18H20N2O2
Molecular Weight:
296.3636
IUPAC Name:
2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H20N2O2/c21-17-15-9-3-4-10-16(15)18(22)20(17)14-8-7-13-19-11-5-1-2-6-12-19/h3-4,9-10H,1-2,5-6,11-14H2
InChI Key:
DFLMLAHVRYYRMV-UHFFFAOYSA-N
SMILES:
O=C1N(CC#CCN2CCCCCC2)C(=O)c2c1cccc2
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.37g/mol
Monoisotopic Mass:
296.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.