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147974-61-6 | Ethanone, 1,1'-[methylenebis(6-amino-3,1-phenylene)]bis- (9CI)
CAS No: 147974-61-6 Catalog No: AG001FBR MDL No:
Product Description
Catalog Number:
AG001FBR
Chemical Name:
Ethanone, 1,1'-[methylenebis(6-amino-3,1-phenylene)]bis- (9CI)
CAS Number:
147974-61-6
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
1-[5-[(3-acetyl-4-aminophenyl)methyl]-2-aminophenyl]ethanone
InChI:
InChI=1S/C17H18N2O2/c1-10(20)14-8-12(3-5-16(14)18)7-13-4-6-17(19)15(9-13)11(2)21/h3-6,8-9H,7,18-19H2,1-2H3
InChI Key:
DYKNUIKMDGBXED-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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