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228419-13-4 molecular structure
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3-(benzyloxy)benzohydrazide

ChemBase ID: 52040
Molecular Formular: C14H14N2O2
Molecular Mass: 242.27316
Monoisotopic Mass: 242.1055277
SMILES and InChIs

SMILES:
C(=O)(c1cc(ccc1)OCc1ccccc1)NN
Canonical SMILES:
NNC(=O)c1cccc(c1)OCc1ccccc1
InChI:
InChI=1S/C14H14N2O2/c15-16-14(17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17)
InChIKey:
JKJQCSNZIBXALH-UHFFFAOYSA-N

Cite this record

CBID:52040 http://www.chembase.cn/molecule-52040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)benzohydrazide
IUPAC Traditional name
3-(benzyloxy)benzohydrazide
Synonyms
3-Benzyloxybenzhydrazide
3-Benzyloxybenzohydrazide
CAS Number
228419-13-4
MDL Number
MFCD01310784
PubChem SID
162056803
PubChem CID
2735491

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735491 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.034923  H Acceptors
H Donor LogD (pH = 5.5) 2.093363 
LogD (pH = 7.4) 2.0942016  Log P 2.0942123 
Molar Refractivity 70.6963 cm3 Polarizability 26.690746 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
113-115°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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