2-BUTYNE-1,4-DIAMINE, N,N,N',N'-TETRAMETHYL-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 90B3HPN3J2
EPA CompTox DTXSID5059404

Structure

InChI Key FFDFQBBNDKGBGI-UHFFFAOYSA-N
Smiles CN(C)CC#CCN(C)C
InChI
InChI=1S/C8H16N2/c1-9(2)7-5-6-8-10(3)4/h7-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16N2
Molecular Weight 140.13
AlogP 0.11
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 6.48
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 111-53-5
NORMAN SUSDAT
FDA SRS 90B3HPN3J2
PubChem 66075
ChemSpider 59465.0
CONTENTS