BENZENAMINE, 4,4'-(1,2-ETHANEDIYL)BIS-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S78Y4P4C7L
EPA CompTox DTXSID3060742

Structure

InChI Key UHNUHZHQLCGZDA-UHFFFAOYSA-N
Smiles Nc1ccc(CCc2ccc(N)cc2)cc1
InChI
InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16N2
Molecular Weight 212.13
AlogP 2.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 52.04
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 621-95-4
NORMAN SUSDAT
FDA SRS S78Y4P4C7L
PubChem 12138
ChemSpider 11640.0
CONTENTS