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188955-57-9 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(hexylmethylamino)-
CAS No: 188955-57-9 Catalog No: AG002HKU MDL No:
Product Description
Catalog Number:
AG002HKU
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(hexylmethylamino)-
CAS Number:
188955-57-9
Molecular Formula:
C20H34N2O2
Molecular Weight:
334.4962
IUPAC Name:
2,5-bis[hexyl(methyl)amino]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C20H34N2O2/c1-5-7-9-11-13-21(3)17-15-20(24)18(16-19(17)23)22(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChI Key:
RUPXVVWFJTXMKJ-UHFFFAOYSA-N
SMILES:
CCCCCCN(C1=CC(=O)C(=CC1=O)N(CCCCCC)C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.262g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.504g/mol
Monoisotopic Mass:
334.262g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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