1,2-PROPANEDIAMINE, N,N,N',N',2-PENTAMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JXW7BHR3TY
EPA CompTox DTXSID2071443

Structure

InChI Key IHOVNUMTDBCBAJ-UHFFFAOYSA-N
Smiles CN(C)CC(C)(C)N(C)C
InChI
InChI=1S/C8H20N2/c1-8(2,10(5)6)7-9(3)4/h7H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2
Molecular Weight 144.16
AlogP 0.89
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 68367-53-3
NORMAN SUSDAT
FDA SRS JXW7BHR3TY
PubChem 110069
ChemSpider 98854.0
CONTENTS