[2-[(DIAZOACETYL)OXY]ETHYL]TRIMETHYLAMMONIUM BROMIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID00952636

Structure

InChI Key VFPNWSNAEHVDGI-UHFFFAOYSA-M
Smiles [Br-].[N-]=[N+]=CC(=O)OCC[N+](C)(C)C
InChI
InChI=1/C7H14N3O2.BrH/c1-10(2,3)4-5-12-7(11)6-9-8;/h6H,4-5H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N3O2
Molecular Weight 251.03
AlogP -3.46
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.7
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 30273-97-3
NORMAN SUSDAT
PubChem 71436825
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