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143715-89-3 | 2,6-Pyridinediamine, acetate (1:1)
CAS No: 143715-89-3 Catalog No: AG001I9D MDL No:
Product Description
Catalog Number:
AG001I9D
Chemical Name:
2,6-Pyridinediamine, acetate (1:1)
CAS Number:
143715-89-3
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
acetic acid;pyridine-2,6-diamine
InChI:
InChI=1S/C5H7N3.C2H4O2/c6-4-2-1-3-5(7)8-4;1-2(3)4/h1-3H,(H4,6,7,8);1H3,(H,3,4)
InChI Key:
MGVORIMCGGRDNZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(n1)N.CC(=O)O
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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