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88600-75-3 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-pentylphenoxy)-
CAS No: 88600-75-3 Catalog No: AG004AYS MDL No:
Product Description
Catalog Number:
AG004AYS
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-pentylphenoxy)-
CAS Number:
88600-75-3
Molecular Formula:
C36H40N4O4
Molecular Weight:
592.7272
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-pentylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C36H40N4O4/c1-3-5-7-9-21-11-15-23(16-12-21)43-27-19-25(37)29-31(33(27)39)36(42)32-30(35(29)41)26(38)20-28(34(32)40)44-24-17-13-22(14-18-24)10-8-6-4-2/h11-20H,3-10,37-40H2,1-2H3
InChI Key:
ORDQJEIMAYVMSK-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)CCCCC
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.305g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
592.74g/mol
Monoisotopic Mass:
592.305g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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