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144511-05-7 | Benz[g]isoquinoline-5,10-dione, 6,9-bis[[3-(dimethylamino)propyl]amino]-
CAS No: 144511-05-7 Catalog No: AG001JOI MDL No:
Product Description
Catalog Number:
AG001JOI
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6,9-bis[[3-(dimethylamino)propyl]amino]-
CAS Number:
144511-05-7
Molecular Formula:
C23H31N5O2
Molecular Weight:
409.5245
IUPAC Name:
6,9-bis[3-(dimethylamino)propylamino]benzo[g]isoquinoline-5,10-dione
InChI:
InChI=1S/C23H31N5O2/c1-27(2)13-5-10-25-18-7-8-19(26-11-6-14-28(3)4)21-20(18)22(29)16-9-12-24-15-17(16)23(21)30/h7-9,12,15,25-26H,5-6,10-11,13-14H2,1-4H3
InChI Key:
YPAFPAUHSGQUOV-UHFFFAOYSA-N
SMILES:
CN(CCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCCN(C)C)C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.248g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
409.534g/mol
Monoisotopic Mass:
409.248g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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