Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y67CF9Z56L
EPA CompTox DTXSID1042493

Structure

InChI Key RKBCYCFRFCNLTO-UHFFFAOYSA-N
Smiles CC(C)N(C(C)C)C(C)C
InChI
InChI=1S/C9H21N/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1
Molecular Weight 143.17
AlogP 2.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3424-21-3
NORMAN SUSDAT
FDA SRS Y67CF9Z56L
PubChem 61924
ChemSpider 55785.0