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145315-42-0 | 1,3-Propanediamine, N1-(2-nitrophenyl)-
CAS No: 145315-42-0 Catalog No: AG001KT2 MDL No:MFCD00622907
Product Description
Catalog Number:
AG001KT2
Chemical Name:
1,3-Propanediamine, N1-(2-nitrophenyl)-
CAS Number:
145315-42-0
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD00622907
IUPAC Name:
N'-(2-nitrophenyl)propane-1,3-diamine
InChI:
InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2
InChI Key:
GVGDDEYVTBKACE-UHFFFAOYSA-N
SMILES:
NCCCNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Selective small molecules blocking HIV-1 Tat and coactivator PCAF association. | Journal of the American Chemical Society 20050302 |
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