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69226-11-5 | 1-(butylamino)-4-(methylamino)-9,10-anthraquinone
CAS No: 69226-11-5 Catalog No: AG005KKJ MDL No:
Product Description
Catalog Number:
AG005KKJ
Chemical Name:
1-(butylamino)-4-(methylamino)-9,10-anthraquinone
CAS Number:
69226-11-5
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
2,5-dimethylthiomorpholin-3-one
InChI:
InChI=1S/C6H11NOS/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)
InChI Key:
NSTLWQIRFPUZJP-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC
NSC Number:
17635
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.22g/mol
Monoisotopic Mass:
145.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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