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88600-19-5 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis(3-butoxyphenoxy)-
CAS No: 88600-19-5 Catalog No: AG004AYX MDL No:
Product Description
Catalog Number:
AG004AYX
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis(3-butoxyphenoxy)-
CAS Number:
88600-19-5
Molecular Formula:
C34H36N4O6
Molecular Weight:
596.6728
IUPAC Name:
1,4,5,8-tetraamino-2,6-bis(3-butoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C34H36N4O6/c1-3-5-13-41-19-9-7-11-21(15-19)43-25-17-23(35)27-29(31(25)37)33(39)28-24(36)18-26(32(38)30(28)34(27)40)44-22-12-8-10-20(16-22)42-14-6-4-2/h7-12,15-18H,3-6,13-14,35-38H2,1-2H3
InChI Key:
QGGPQJWISQZRNS-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)c(cc1N)Oc1cccc(c1)OCCCC
Properties
Complexity:
881
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.263g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
596.684g/mol
Monoisotopic Mass:
596.263g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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