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23585-00-4 molecular structure
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1-methyl-1H-imidazole-5-carbohydrazide

ChemBase ID: 80746
Molecular Formular: C5H8N4O
Molecular Mass: 140.14322
Monoisotopic Mass: 140.0698109
SMILES and InChIs

SMILES:
n1(c(cnc1)C(=O)NN)C
Canonical SMILES:
Cn1cncc1C(=O)NN
InChI:
InChI=1S/C5H8N4O/c1-9-3-7-2-4(9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChIKey:
CFIAOJVURKEWPG-UHFFFAOYSA-N

Cite this record

CBID:80746 http://www.chembase.cn/molecule-80746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-imidazole-5-carbohydrazide
IUPAC Traditional name
3-methylimidazole-4-carbohydrazide
Synonyms
1-methyl-1H-imidazole-5-carbohydrazide
1-Methyl-1H-imidazole-5-carboxylic acid hydrazide
5-(Hydrazinocarbonyl)-1-methyl-1H-imidazole
1-Methyl-1H-imidazole-5-carbohydrazide 97%
CAS Number
23585-00-4
MDL Number
MFCD03659706
PubChem SID
162067866
PubChem CID
468661

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 468661 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.898975  H Acceptors
H Donor LogD (pH = 5.5) -1.545801 
LogD (pH = 7.4) -1.4488988  Log P -1.4473825 
Molar Refractivity 37.3495 cm3 Polarizability 13.239495 Å3
Polar Surface Area 72.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
186-188°C expand Show data source
Storage Warning
Irritant/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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