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150629-26-8 | Benzo[g]quinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-
CAS No: 150629-26-8 Catalog No: AG001MSA MDL No:
Product Description
Catalog Number:
AG001MSA
Chemical Name:
Benzo[g]quinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-
CAS Number:
150629-26-8
Molecular Formula:
C17H19N5O2
Molecular Weight:
325.3651
IUPAC Name:
6,9-bis(2-aminoethylamino)benzo[g]quinoline-5,10-dione
InChI:
InChI=1S/C17H19N5O2/c18-5-8-20-11-3-4-12(21-9-6-19)14-13(11)16(23)10-2-1-7-22-15(10)17(14)24/h1-4,7,20-21H,5-6,8-9,18-19H2
InChI Key:
LERLSYZHEFMEBV-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(c2c1C(=O)c1c(C2=O)cccn1)NCCN
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.154g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
325.372g/mol
Monoisotopic Mass:
325.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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