P-TOLYLGUANIDINIUM NITRATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID501000602

Structure

InChI Key CXULDDXGJVXNQQ-UHFFFAOYSA-O
Smiles O=[N+]([O-])[O-].N=C(N)[NH2+]C1=CC=C(C=C1)C
InChI
InChI=1/C8H11N3.NO3/c1-6-2-4-7(5-3-6)11-8(9)10;2-1(3)4/h2-5H,1H3,(H4,9,10,11);/q;-1/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N3
Molecular Weight 212.09
AlogP -0.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 129.84
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 79574-98-4
NORMAN SUSDAT
PubChem 409364
CONTENTS