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114058-72-9 | 2,7-Quinolinediamine
CAS No: 114058-72-9 Catalog No: AG000AF9 MDL No:
Product Description
Catalog Number:
AG000AF9
Chemical Name:
2,7-Quinolinediamine
CAS Number:
114058-72-9
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
quinoline-2,7-diamine
InChI:
InChI=1S/C9H9N3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,10H2,(H2,11,12)
InChI Key:
JXQSVUMLMHXBMH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(cc2)N
NSC Number:
319962
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 7-Aminoquinolines. A novel class of agents active against herpesviruses. | Journal of medicinal chemistry 19880701 |
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