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503-86-6 molecular structure
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2-amino-4,5-dihydro-1H-imidazol-4-one

ChemBase ID: 802312
Molecular Formular: C3H5N3O
Molecular Mass: 99.0913
Monoisotopic Mass: 99.0432618
SMILES and InChIs

SMILES:
N1C(=NC(=O)C1)N
Canonical SMILES:
NC1=NC(=O)CN1
InChI:
InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)
InChIKey:
TYKJILJOXAHUFO-UHFFFAOYSA-N

Cite this record

CBID:802312 http://www.chembase.cn/molecule-802312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4,5-dihydro-1H-imidazol-4-one
IUPAC Traditional name
2-amino-1,5-dihydroimidazol-4-one
Synonyms
2-AMINO-1,5-DIHYDRO-4H-IMIDAZOL-4-ONE
CAS Number
503-86-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18768 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18768 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.791948  H Acceptors
H Donor LogD (pH = 5.5) -1.7433106 
LogD (pH = 7.4) -2.4229555  Log P -1.7213956 
Molar Refractivity 23.0253 cm3 Polarizability 8.705157 Å3
Polar Surface Area 67.48 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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