Home > Compound List > Compound details
27830-16-6 molecular structure
click picture or here to close

3-ethoxybenzohydrazide

ChemBase ID: 7950
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
C(=O)(c1cc(OCC)ccc1)NN
Canonical SMILES:
CCOc1cccc(c1)C(=O)NN
InChI:
InChI=1S/C9H12N2O2/c1-2-13-8-5-3-4-7(6-8)9(12)11-10/h3-6H,2,10H2,1H3,(H,11,12)
InChIKey:
ROKJUCOMVRXSAC-UHFFFAOYSA-N

Cite this record

CBID:7950 http://www.chembase.cn/molecule-7950.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxybenzohydrazide
IUPAC Traditional name
3-ethoxybenzohydrazide
Synonyms
3-Ethoxybenzhydrazide
3-Ethoxybenzhydrazide
3-乙氧基苯酰肼
CAS Number
27830-16-6
MDL Number
MFCD00017063
Beilstein Number
2577763
PubChem SID
160971257
PubChem CID
141381

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 141381 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.041176  H Acceptors
H Donor LogD (pH = 5.5) 0.7256971 
LogD (pH = 7.4) 0.72653633  Log P 0.7265471 
Molar Refractivity 50.8323 cm3 Polarizability 18.951563 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
101-103°C expand Show data source
101-104°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle