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158868-13-4 | 4-Pyridinamine, hydrate (1:1)
CAS No: 158868-13-4 Catalog No: AG001QZ3 MDL No:
Product Description
Catalog Number:
AG001QZ3
Chemical Name:
4-Pyridinamine, hydrate (1:1)
CAS Number:
158868-13-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
IUPAC Name:
pyridin-4-amine;hydrate
InChI:
InChI=1S/C5H6N2.H2O/c6-5-1-3-7-4-2-5;/h1-4H,(H2,6,7);1H2
InChI Key:
KASVQZWALBABKA-UHFFFAOYSA-N
SMILES:
Nc1ccncc1.O
Properties
Complexity:
48
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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