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131011-91-1 | 9,10-Anthracenedione, 1-[(12-aminododecyl)amino]-
CAS No: 131011-91-1 Catalog No: AG000VCL MDL No:
Product Description
Catalog Number:
AG000VCL
Chemical Name:
9,10-Anthracenedione, 1-[(12-aminododecyl)amino]-
CAS Number:
131011-91-1
Molecular Formula:
C26H34N2O2
Molecular Weight:
406.5604
IUPAC Name:
1-(12-aminododecylamino)anthracene-9,10-dione
InChI:
InChI=1S/C26H34N2O2/c27-18-11-7-5-3-1-2-4-6-8-12-19-28-23-17-13-16-22-24(23)26(30)21-15-10-9-14-20(21)25(22)29/h9-10,13-17,28H,1-8,11-12,18-19,27H2
InChI Key:
RFJSZYKAAPAXQL-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCCCNc1cccc2c1C(=O)c1c(C2=O)cccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.262g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.57g/mol
Monoisotopic Mass:
406.262g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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