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2478-79-7 | 9,10-Anthracenedione, 1,4-bis[(phenylmethyl)amino]-
CAS No: 2478-79-7 Catalog No: AG002PES MDL No:
Product Description
Catalog Number:
AG002PES
Chemical Name:
9,10-Anthracenedione, 1,4-bis[(phenylmethyl)amino]-
CAS Number:
2478-79-7
Molecular Formula:
C28H22N2O2
Molecular Weight:
418.4865
IUPAC Name:
1,4-bis(benzylamino)anthracene-9,10-dione
InChI:
InChI=1S/C28H22N2O2/c31-27-21-13-7-8-14-22(21)28(32)26-24(30-18-20-11-5-2-6-12-20)16-15-23(25(26)27)29-17-19-9-3-1-4-10-19/h1-16,29-30H,17-18H2
InChI Key:
LEVZIKPSFVIDHR-UHFFFAOYSA-N
SMILES:
O=C1c2c(NCc3ccccc3)ccc(c2C(=O)c2c1cccc2)NCc1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.168g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.496g/mol
Monoisotopic Mass:
418.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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