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16543-10-5 molecular structure
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2-(diphenylphosphoroso)acetohydrazide

ChemBase ID: 179806
Molecular Formular: C14H15N2O2P
Molecular Mass: 274.254861
Monoisotopic Mass: 274.08711436
SMILES and InChIs

SMILES:
P(=O)(CC(=O)NN)(c1ccccc1)c1ccccc1
Canonical SMILES:
NNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15N2O2P/c15-16-14(17)11-19(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,15H2,(H,16,17)
InChIKey:
PMHFLBQRALFMRT-UHFFFAOYSA-N

Cite this record

CBID:179806 http://www.chembase.cn/molecule-179806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diphenylphosphoroso)acetohydrazide
IUPAC Traditional name
2-(diphenylphosphoroso)acetohydrazide
Synonyms
Gidifen
Fosfabenzid
Phosphabenzide
Fosenazide
CAS Number
16543-10-5
PubChem SID
164235716
PubChem CID
27918

DATA SOURCES

DATA SOURCES

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InterBioScreen
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Data Source Data ID
PubChem 27918 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.485158  H Acceptors
H Donor LogD (pH = 5.5) 1.7367212 
LogD (pH = 7.4) 1.7373316  Log P 1.7377 
Molar Refractivity 75.6791 cm3 Polarizability 29.652775 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Application(s)
Anticonvulsant expand Show data source
Antiepileptic agent expand Show data source
Antitubercular agent expand Show data source
Psychosedative expand Show data source
Tranquilliser expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Razumov, A.I. et al., Zh. Obshch. Khim., 1967, 37, 421; 1976, 46, 1412; J. Gen. Chem. USSR (Engl. Transl.), 1967, 37, 393; 1976, 46, 1388, (synth, pharmacol)
  • • Zaikonnikova, I.V. et al., Farmakol. Toksikol. (Moscow), 1980, 43(4), 334, (pharmacol)
  • • Razumov, A.I. et al., Zh. Prikl. Khim. (Leningrad), 1983, 56, 342; J. Appl. Chem. USSR (Engl. Transl.), 1983, 56, 325, (synth)
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PATENTS

PATENTS

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INTERNET

INTERNET

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