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23584-99-8 molecular structure
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1-methyl-2,3-dihydro-1H-imidazole-4-carbohydrazide

ChemBase ID: 804016
Molecular Formular: C5H10N4O
Molecular Mass: 142.1591
Monoisotopic Mass: 142.08546096
SMILES and InChIs

SMILES:
N1CN(C=C1C(=O)NN)C
Canonical SMILES:
CN1CNC(=C1)C(=O)NN
InChI:
InChI=1S/C5H10N4O/c1-9-2-4(7-3-9)5(10)8-6/h2,7H,3,6H2,1H3,(H,8,10)
InChIKey:
PWDMELXHYSWWLU-UHFFFAOYSA-N

Cite this record

CBID:804016 http://www.chembase.cn/molecule-804016.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-2,3-dihydro-1H-imidazole-4-carbohydrazide
IUPAC Traditional name
1-methyl-2,3-dihydroimidazole-4-carbohydrazide
Synonyms
N'-METHYL-1H-IMIDAZOLE-5-CARBOHYDRAZIDE
CAS Number
23584-99-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20800 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20800 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.756179  H Acceptors
H Donor LogD (pH = 5.5) -1.7695756 
LogD (pH = 7.4) -1.767151  Log P -1.7671182 
Molar Refractivity 38.5422 cm3 Polarizability 13.928833 Å3
Polar Surface Area 70.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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