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101007-49-2 | 4-Pyridinamine, N,N-diethyl-, 1-oxide
CAS No: 101007-49-2 Catalog No: AG0003HZ MDL No:
Product Description
Catalog Number:
AG0003HZ
Chemical Name:
4-Pyridinamine, N,N-diethyl-, 1-oxide
CAS Number:
101007-49-2
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
N,N-diethyl-1-oxidopyridin-1-ium-4-amine
InChI:
InChI=1S/C9H14N2O/c1-3-10(4-2)9-5-7-11(12)8-6-9/h5-8H,3-4H2,1-2H3
InChI Key:
IRFNDTQTGCYIOQ-UHFFFAOYSA-N
SMILES:
CCN(c1cc[n+](cc1)[O-])CC
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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