1,4,7-TRIMETHYL-1,4,7-TRIAZACYCLONONANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R7BZK76RTP
EPA CompTox DTXSID80338151

Structure

InChI Key WLDGDTPNAKWAIR-UHFFFAOYSA-N
Smiles CN1CCN(CCN(CC1)C)C
InChI
InChI=1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N3
Molecular Weight 171.17
AlogP -0.2
Hydrogen Bond Acceptor 3.0
Polar Surface Area 9.72
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 96556-05-7
NORMAN SUSDAT
FDA SRS R7BZK76RTP
PubChem 546957
ChemSpider 476078.0
CONTENTS