Molecular Structure of N,N-Dimethylethanamine N-oxide (CAS NO.31820-06-1):
IUPAC Name: N,N-Dimethylethanamine oxide
Molecular Formula: C4H11NO
Molecular Weight: 89.14
CAS Registry Number: 31820-06-1
XLogP3-AA: 0.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 89.084064
MonoIsotopic Mass: 89.084064
Topological Polar Surface Area: 18.1
Heavy Atom Count: 6
Complexity: 42.8
Canonical SMILES: CC[N+](C)(C)[O-]
InChI: InChI=1S/C4H11NO/c1-4-5(2,3)6/h4H2,1-3H3
InChIKey: MECBYDXMJQGFGQ-UHFFFAOYSA-N
N,N-Dimethylethanamine N-oxide (CAS NO.31820-06-1), its Synonyms are Ethanamine, N,N-dimethyl-, N-oxide ; Dimethylethylamine-N-oxide ; Ethylamine,N,N-dimethyl-, N-oxide (8CI) ; Ethyl(dimethyl)amine oxide .
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