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50785-58-5 molecular structure
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1-(hydrazinecarbonyl)-N-(4-methylphenyl)formamide

ChemBase ID: 33279
Molecular Formular: C9H11N3O2
Molecular Mass: 193.20254
Monoisotopic Mass: 193.08512661
SMILES and InChIs

SMILES:
C(=O)(C(=O)Nc1ccc(cc1)C)NN
Canonical SMILES:
NNC(=O)C(=O)Nc1ccc(cc1)C
InChI:
InChI=1S/C9H11N3O2/c1-6-2-4-7(5-3-6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKey:
NVMUGOZCZZZROI-UHFFFAOYSA-N

Cite this record

CBID:33279 http://www.chembase.cn/molecule-33279.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(hydrazinecarbonyl)-N-(4-methylphenyl)formamide
IUPAC Traditional name
1-(hydrazinecarbonyl)-N-(4-methylphenyl)formamide
Synonyms
2-Hydrazino-N-(4-methylphenyl)-2-oxoacetamide
CAS Number
50785-58-5
MDL Number
MFCD00966772
PubChem SID
160996586
PubChem CID
2466747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2466747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.008377  H Acceptors
H Donor LogD (pH = 5.5) 0.58030105 
LogD (pH = 7.4) 0.5796007  Log P 0.5805534 
Molar Refractivity 54.0634 cm3 Polarizability 19.629839 Å3
Polar Surface Area 84.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
204 - 206°C expand Show data source
Hydrophobicity(logP)
-0.958 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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