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88447-10-3 | 9,10-Anthracenedione, 1-amino-5-[(phenylmethyl)amino]-
CAS No: 88447-10-3 Catalog No: AG004JJV MDL No:
Product Description
Catalog Number:
AG004JJV
Chemical Name:
9,10-Anthracenedione, 1-amino-5-[(phenylmethyl)amino]-
CAS Number:
88447-10-3
Molecular Formula:
C21H16N2O2
Molecular Weight:
328.3639
IUPAC Name:
1-amino-5-(benzylamino)anthracene-9,10-dione
InChI:
InChI=1S/C21H16N2O2/c22-16-10-4-8-14-18(16)20(24)15-9-5-11-17(19(15)21(14)25)23-12-13-6-2-1-3-7-13/h1-11,23H,12,22H2
InChI Key:
UXFFRVRMEYIOTE-UHFFFAOYSA-N
SMILES:
O=C1c2c(cccc2C(=O)c2c1cccc2N)NCc1ccccc1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.371g/mol
Monoisotopic Mass:
328.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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