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122306-15-4 | Heptanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-
CAS No: 122306-15-4 Catalog No: AG001739 MDL No:
Product Description
Catalog Number:
AG001739
Chemical Name:
Heptanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-
CAS Number:
122306-15-4
Molecular Formula:
C17H38N4O
Molecular Weight:
314.5098
IUPAC Name:
N-[3-[4-(3-aminopropylamino)butylamino]propyl]heptanamide
InChI:
InChI=1S/C17H38N4O/c1-2-3-4-5-10-17(22)21-16-9-15-20-13-7-6-12-19-14-8-11-18/h19-20H,2-16,18H2,1H3,(H,21,22)
InChI Key:
YMXBLJUKILWRTH-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)NCCCNCCCCNCCCN
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.305g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.518g/mol
Monoisotopic Mass:
314.305g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis of bis-spermine dimers that are potent polyamine transport inhibitors. | Bioorganic & medicinal chemistry letters 20020107 |
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