N-(2,4-DIMETHYLPHENYL)FORMAMIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X81G373YUR
EPA CompTox DTXSID6037697

Structure

InChI Key JOFDPSBOUCXJCC-UHFFFAOYSA-N
Smiles CC1=C(NC([H])=O)C=CC(C)=C1
InChI
InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1O1
Molecular Weight 149.08
AlogP 2.52
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.59
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 60397-77-5
NORMAN SUSDAT
FDA SRS X81G373YUR
PubChem 92363
ChemSpider 83385.0
CONTENTS