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71205-35-1 | 1-(butylamino)-4-(cyclohexylamino)-9,10-anthraquinone
CAS No: 71205-35-1 Catalog No: AG005KCG MDL No:
Product Description
Catalog Number:
AG005KCG
Chemical Name:
1-(butylamino)-4-(cyclohexylamino)-9,10-anthraquinone
CAS Number:
71205-35-1
Molecular Formula:
C24H28N2O2
Molecular Weight:
376.4913
IUPAC Name:
N-[4-(3-ethoxy-5-oxo-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide
InChI:
InChI=1S/C36H53N3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21-19-22-32(27-29)43-33(5-2)36(41)37-30-23-25-31(26-24-30)39-35(40)28-34(38-39)42-6-3/h19,21-27,33H,4-18,20,28H2,1-3H3,(H,37,41)
InChI Key:
DYWWLRFNCPQXMM-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC1CCCCC1
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.404g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
591.837g/mol
Monoisotopic Mass:
591.404g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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