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438219-20-6 molecular structure
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2-(4-methylphenyl)cyclopropane-1-carbohydrazide

ChemBase ID: 27326
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
C1(C(C1)c1ccc(cc1)C)C(=O)NN
Canonical SMILES:
NNC(=O)C1CC1c1ccc(cc1)C
InChI:
InChI=1S/C11H14N2O/c1-7-2-4-8(5-3-7)9-6-10(9)11(14)13-12/h2-5,9-10H,6,12H2,1H3,(H,13,14)
InChIKey:
FIPFFUWDRAOWFF-UHFFFAOYSA-N

Cite this record

CBID:27326 http://www.chembase.cn/molecule-27326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylphenyl)cyclopropane-1-carbohydrazide
IUPAC Traditional name
2-(4-methylphenyl)cyclopropane-1-carbohydrazide
Synonyms
2-(4-Methylphenyl)cyclopropanecarbohydrazide
CAS Number
438219-20-6
MDL Number
MFCD02253832
PubChem SID
160990633
PubChem CID
4411497

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4411497 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.081472  H Acceptors
H Donor LogD (pH = 5.5) 1.3847675 
LogD (pH = 7.4) 1.3872441  Log P 1.3872766 
Molar Refractivity 56.034 cm3 Polarizability 21.362196 Å3
Polar Surface Area 55.12 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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