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123296-26-4 | 9,10-Anthracenedione, 1,5-bis[(4-aminobutyl)amino]-
CAS No: 123296-26-4 Catalog No: AG000K9Y MDL No:
Product Description
Catalog Number:
AG000K9Y
Chemical Name:
9,10-Anthracenedione, 1,5-bis[(4-aminobutyl)amino]-
CAS Number:
123296-26-4
Molecular Formula:
C22H28N4O2
Molecular Weight:
380.4833
IUPAC Name:
1,5-bis(4-aminobutylamino)anthracene-9,10-dione
InChI:
InChI=1S/C22H28N4O2/c23-11-1-3-13-25-17-9-5-7-15-19(17)21(27)16-8-6-10-18(20(16)22(15)28)26-14-4-2-12-24/h5-10,25-26H,1-4,11-14,23-24H2
InChI Key:
CSNIVFSAZYBKMZ-UHFFFAOYSA-N
SMILES:
NCCCCNc1cccc2c1C(=O)c1c(C2=O)c(NCCCCN)ccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.221g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
380.492g/mol
Monoisotopic Mass:
380.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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