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161253-99-2 | 1,5-Naphthalenedione, 2,6-bis(butylamino)-4,8-dihydroxy-
CAS No: 161253-99-2 Catalog No: AG001SAF MDL No:
Product Description
Catalog Number:
AG001SAF
Chemical Name:
1,5-Naphthalenedione, 2,6-bis(butylamino)-4,8-dihydroxy-
CAS Number:
161253-99-2
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
IUPAC Name:
2,6-bis(butylamino)-5,8-dihydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C18H24N2O4/c1-3-5-7-19-11-9-13(21)16-15(17(11)23)14(22)10-12(18(16)24)20-8-6-4-2/h9-10,19-21,23H,3-8H2,1-2H3
InChI Key:
MVZFSTZNRYUIGZ-UHFFFAOYSA-N
SMILES:
CCCCNC1=CC(=C2C(=C(O)C=C(C2=O)NCCCC)C1=O)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
332.4g/mol
Monoisotopic Mass:
332.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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