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85409-60-5 | 1,4-BIS[(3-METHYLBUTYL)AMINO]ANTHRAQUINONE
CAS No: 85409-60-5 Catalog No: AG004OF6 MDL No:
Product Description
Catalog Number:
AG004OF6
Chemical Name:
1,4-BIS[(3-METHYLBUTYL)AMINO]ANTHRAQUINONE
CAS Number:
85409-60-5
Molecular Formula:
C24H30N2O2
Molecular Weight:
378.5072
IUPAC Name:
1,4-bis(3-methylbutylamino)anthracene-9,10-dione
InChI:
InChI=1S/C24H30N2O2/c1-15(2)11-13-25-19-9-10-20(26-14-12-16(3)4)22-21(19)23(27)17-7-5-6-8-18(17)24(22)28/h5-10,15-16,25-26H,11-14H2,1-4H3
InChI Key:
SJTIMPRLGIEWAC-UHFFFAOYSA-N
SMILES:
CC(CCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCC(C)C)C
EC Number:
287-130-3
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.231g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.516g/mol
Monoisotopic Mass:
378.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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