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86098-42-2 molecular structure
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2-(2-methylphenoxy)propanehydrazide

ChemBase ID: 27195
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
C(=O)(C(Oc1c(C)cccc1)C)NN
Canonical SMILES:
NNC(=O)C(Oc1ccccc1C)C
InChI:
InChI=1S/C10H14N2O2/c1-7-5-3-4-6-9(7)14-8(2)10(13)12-11/h3-6,8H,11H2,1-2H3,(H,12,13)
InChIKey:
RNXKTJYPOWKABK-UHFFFAOYSA-N

Cite this record

CBID:27195 http://www.chembase.cn/molecule-27195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methylphenoxy)propanehydrazide
IUPAC Traditional name
2-(2-methylphenoxy)propanehydrazide
Synonyms
2-(2-Methylphenoxy)propanohydrazide
CAS Number
86098-42-2
MDL Number
MFCD03423128
PubChem SID
160990502
PubChem CID
3688471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3688471 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.419343  H Acceptors
H Donor LogD (pH = 5.5) 1.2709275 
LogD (pH = 7.4) 1.2723038  Log P 1.2723252 
Molar Refractivity 54.4472 cm3 Polarizability 20.930986 Å3
Polar Surface Area 64.35 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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