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23420-00-0 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(dodecylamino)-
CAS No: 23420-00-0 Catalog No: AG002N6O MDL No:
Product Description
Catalog Number:
AG002N6O
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(dodecylamino)-
CAS Number:
23420-00-0
Molecular Formula:
C30H54N2O2
Molecular Weight:
474.7620
IUPAC Name:
2,5-bis(dodecylamino)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C30H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-31-27-25-30(34)28(26-29(27)33)32-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,31-32H,3-24H2,1-2H3
InChI Key:
ZZYJTLPPCRGIBL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCCCCCCC
NSC Number:
46457
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.419g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.774g/mol
Monoisotopic Mass:
474.419g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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