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88600-72-0 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-butylphenoxy)-
CAS No: 88600-72-0 Catalog No: AG004AYT MDL No:
Product Description
Catalog Number:
AG004AYT
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-butylphenoxy)-
CAS Number:
88600-72-0
Molecular Formula:
C34H36N4O4
Molecular Weight:
564.6740
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(3-butylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C34H36N4O4/c1-3-5-9-19-11-7-13-21(15-19)41-25-17-23(35)27-29(31(25)37)34(40)30-28(33(27)39)24(36)18-26(32(30)38)42-22-14-8-12-20(16-22)10-6-4-2/h7-8,11-18H,3-6,9-10,35-38H2,1-2H3
InChI Key:
NJNXFFPQOIQIIZ-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1cccc(c1)CCCC
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.274g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
564.686g/mol
Monoisotopic Mass:
564.274g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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