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154660-48-7 molecular structure
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2-phenylbenzohydrazide

ChemBase ID: 52192
Molecular Formular: C13H12N2O
Molecular Mass: 212.24718
Monoisotopic Mass: 212.09496301
SMILES and InChIs

SMILES:
C(=O)(c1c(cccc1)c1ccccc1)NN
Canonical SMILES:
NNC(=O)c1ccccc1c1ccccc1
InChI:
InChI=1S/C13H12N2O/c14-15-13(16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey:
URSYVWKUCWNLMA-UHFFFAOYSA-N

Cite this record

CBID:52192 http://www.chembase.cn/molecule-52192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylbenzohydrazide
IUPAC Traditional name
2-phenylbenzohydrazide
Synonyms
2-Phenylbenzhydrazide
CAS Number
154660-48-7
MDL Number
MFCD00270122
PubChem SID
162056955
PubChem CID
2760365

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
056806 external link Add to cart Please log in.
Data Source Data ID
PubChem 2760365 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.937377  H Acceptors
H Donor LogD (pH = 5.5) 2.1737893 
LogD (pH = 7.4) 2.1746252  Log P 2.174636 
Molar Refractivity 64.7567 cm3 Polarizability 25.589926 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
135-138°C expand Show data source
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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