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100693-82-1 | 9,10-Anthracenedione, 1,5-bis(butylamino)-
CAS No: 100693-82-1 Catalog No: AG0002MT MDL No:
Product Description
Catalog Number:
AG0002MT
Chemical Name:
9,10-Anthracenedione, 1,5-bis(butylamino)-
CAS Number:
100693-82-1
Molecular Formula:
C22H26N2O2
Molecular Weight:
350.4540
IUPAC Name:
1,5-bis(butylamino)anthracene-9,10-dione
InChI:
InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-7-9-15-19(17)21(25)16-10-8-12-18(20(16)22(15)26)24-14-6-4-2/h7-12,23-24H,3-6,13-14H2,1-2H3
InChI Key:
YIFQQKZGMOKOQQ-UHFFFAOYSA-N
SMILES:
CCCCNc1cccc2c1C(=O)c1c(C2=O)c(NCCCC)ccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.462g/mol
Monoisotopic Mass:
350.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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