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23673-43-0 | 1,2-Naphthalenedione, 4-[(4-cyclohexylbutyl)amino]-
CAS No: 23673-43-0 Catalog No: AG002O48 MDL No:
Product Description
Catalog Number:
AG002O48
Chemical Name:
1,2-Naphthalenedione, 4-[(4-cyclohexylbutyl)amino]-
CAS Number:
23673-43-0
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
4-(4-cyclohexylbutylamino)naphthalene-1,2-dione
InChI:
InChI=1S/C20H25NO2/c22-19-14-18(16-11-4-5-12-17(16)20(19)23)21-13-7-6-10-15-8-2-1-3-9-15/h4-5,11-12,14-15,21H,1-3,6-10,13H2
InChI Key:
FBGBNUHZWSPSIG-UHFFFAOYSA-N
SMILES:
O=C1C=C(NCCCCC2CCCCC2)c2c(C1=O)cccc2
NSC Number:
107042
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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