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101009-07-8 | 1,4-Butanediamine, N1-[3-(9-acridinylamino)propyl]-N4-(3-aminopropyl)-
CAS No: 101009-07-8 Catalog No: AG0003HY MDL No:
Product Description
Catalog Number:
AG0003HY
Chemical Name:
1,4-Butanediamine, N1-[3-(9-acridinylamino)propyl]-N4-(3-aminopropyl)-
CAS Number:
101009-07-8
Molecular Formula:
C23H33N5
Molecular Weight:
379.5416
IUPAC Name:
N'-[3-(acridin-9-ylamino)propyl]-N'-(3-aminopropyl)butane-1,4-diamine
InChI:
InChI=1S/C23H33N5/c24-13-5-6-16-28(17-7-14-25)18-8-15-26-23-19-9-1-3-11-21(19)27-22-12-4-2-10-20(22)23/h1-4,9-12H,5-8,13-18,24-25H2,(H,26,27)
InChI Key:
OWKXUXOGCVQCIO-UHFFFAOYSA-N
SMILES:
NCCCNCCCCNCCCNc1c2ccccc2nc2c1cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.274g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
379.552g/mol
Monoisotopic Mass:
379.274g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1 Tat antagonist acting through Tat-TAR inhibition. | Biochemistry 19980414 |
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