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85409-57-0 | 1-(BUTYLAMINO)-4-[(3-METHYLBUTYL)AMINO]ANTHRAQUINONE
CAS No: 85409-57-0 Catalog No: AG004TLQ MDL No:
Product Description
Catalog Number:
AG004TLQ
Chemical Name:
1-(BUTYLAMINO)-4-[(3-METHYLBUTYL)AMINO]ANTHRAQUINONE
CAS Number:
85409-57-0
Molecular Formula:
C23H28N2O2
Molecular Weight:
364.4806
IUPAC Name:
1-(butylamino)-4-(3-methylbutylamino)anthracene-9,10-dione
InChI:
InChI=1S/C23H28N2O2/c1-4-5-13-24-18-10-11-19(25-14-12-15(2)3)21-20(18)22(26)16-8-6-7-9-17(16)23(21)27/h6-11,15,24-25H,4-5,12-14H2,1-3H3
InChI Key:
UAWLYFQIAWYUDA-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NCCC(C)C
EC Number:
287-127-7
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.215g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.489g/mol
Monoisotopic Mass:
364.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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