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64328-60-5 molecular structure
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4-propoxybenzohydrazide

ChemBase ID: 27098
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)OCCC)NN
Canonical SMILES:
CCCOc1ccc(cc1)C(=O)NN
InChI:
InChI=1S/C10H14N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey:
VPDVPMYHIZEJBB-UHFFFAOYSA-N

Cite this record

CBID:27098 http://www.chembase.cn/molecule-27098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-propoxybenzohydrazide
IUPAC Traditional name
4-propoxybenzohydrazide
Synonyms
4-Propoxybenzohydrazide
4-Propoxy-benzoic acid hydrazide
CAS Number
64328-60-5
MDL Number
MFCD00460573
PubChem SID
160990405
PubChem CID
2063438

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2063438 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.50755  H Acceptors
H Donor LogD (pH = 5.5) 1.2481219 
LogD (pH = 7.4) 1.2490575  Log P 1.2490695 
Molar Refractivity 55.3563 cm3 Polarizability 20.78833 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
88 - 90°C expand Show data source
Hydrophobicity(logP)
1.49 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
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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