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146136-78-9 | 2,4-Quinolinediamine
CAS No: 146136-78-9 Catalog No: AG001DQ6 MDL No:
Product Description
Catalog Number:
AG001DQ6
Chemical Name:
2,4-Quinolinediamine
CAS Number:
146136-78-9
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
quinoline-2,4-diamine
InChI:
InChI=1S/C9H9N3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H4,10,11,12)
InChI Key:
NKXSJFUIFJMXED-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c2c(n1)cccc2
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 |
|---|---|
| Metallocene antimalarials: the continuing quest. | Metal-based drugs 20080101 |
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