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30269-28-4 | 9,10-Anthracenedione, 1-amino-2-(4-morpholinylmethyl)-
CAS No: 30269-28-4 Catalog No: AG002ZEL MDL No:
Product Description
Catalog Number:
AG002ZEL
Chemical Name:
9,10-Anthracenedione, 1-amino-2-(4-morpholinylmethyl)-
CAS Number:
30269-28-4
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
IUPAC Name:
1-amino-2-(morpholin-4-ylmethyl)anthracene-9,10-dione
InChI:
InChI=1S/C19H18N2O3/c20-17-12(11-21-7-9-24-10-8-21)5-6-15-16(17)19(23)14-4-2-1-3-13(14)18(15)22/h1-6H,7-11,20H2
InChI Key:
KEFOZLCPSNGUCX-UHFFFAOYSA-N
SMILES:
Nc1c(ccc2c1C(=O)c1ccccc1C2=O)CN1CCOCC1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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