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88796-99-0 | 2-Pyridineethanamine, N-methyl-, 1-oxide
CAS No: 88796-99-0 Catalog No: AG004ARW MDL No:
Product Description
Catalog Number:
AG004ARW
Chemical Name:
2-Pyridineethanamine, N-methyl-, 1-oxide
CAS Number:
88796-99-0
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
N-methyl-2-(1-oxidopyridin-1-ium-2-yl)ethanamine
InChI:
InChI=1S/C8H12N2O/c1-9-6-5-8-4-2-3-7-10(8)11/h2-4,7,9H,5-6H2,1H3
InChI Key:
GJOAEQDAOLHQLI-UHFFFAOYSA-N
SMILES:
CNCCc1cccc[n+]1[O-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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