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6636-02-8 molecular structure
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2,2-diphenylacetohydrazide

ChemBase ID: 21602
Molecular Formular: C14H14N2O
Molecular Mass: 226.27376
Monoisotopic Mass: 226.11061308
SMILES and InChIs

SMILES:
C(=O)(C(c1ccccc1)c1ccccc1)NN
Canonical SMILES:
NNC(=O)C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
InChIKey:
YBBSKAGTEPBSNK-UHFFFAOYSA-N

Cite this record

CBID:21602 http://www.chembase.cn/molecule-21602.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-diphenylacetohydrazide
IUPAC Traditional name
2,2-diphenylacetohydrazide
Synonyms
2,2-Diphenylacetohydrazide
CAS Number
6636-02-8
MDL Number
MFCD00544954
PubChem SID
160984909
PubChem CID
226139

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 226139 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.859938  H Acceptors
H Donor LogD (pH = 5.5) 2.182655 
LogD (pH = 7.4) 2.184343  Log P 2.184366 
Molar Refractivity 68.3414 cm3 Polarizability 26.253517 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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