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79817-67-7 | 9,10-Anthracenedione,1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-[(2,4,6-trimethylphenyl)amino]-
CAS No: 79817-67-7 Catalog No: AG005H89 MDL No:
Product Description
Catalog Number:
AG005H89
Chemical Name:
9,10-Anthracenedione,1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-[(2,4,6-trimethylphenyl)amino]-
CAS Number:
79817-67-7
Molecular Formula:
C28H30N2O5
Molecular Weight:
474.5482
IUPAC Name:
1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C28H30N2O5/c1-16-13-17(2)26(18(3)14-16)30-21-15-22(35-12-11-34-10-9-33-4)25(29)24-23(21)27(31)19-7-5-6-8-20(19)28(24)32/h5-8,13-15,30H,9-12,29H2,1-4H3
InChI Key:
LAKNHEAPHMBKTO-UHFFFAOYSA-N
SMILES:
COCCOCCOc1cc(Nc2c(C)cc(cc2C)C)c2c(c1N)C(=O)c1c(C2=O)cccc1
EC Number:
279-298-1
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.215g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.557g/mol
Monoisotopic Mass:
474.215g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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