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1218456-21-3 molecular structure
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3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione

ChemBase ID: 309268
Molecular Formular: C10H11N3O2
Molecular Mass: 205.21324
Monoisotopic Mass: 205.08512661
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)C)c1c(N)cccc1
Canonical SMILES:
CC1NC(=O)N(C1=O)c1ccccc1N
InChI:
InChI=1S/C10H11N3O2/c1-6-9(14)13(10(15)12-6)8-5-3-2-4-7(8)11/h2-6H,11H2,1H3,(H,12,15)
InChIKey:
HBPRPYQMXVEZDK-UHFFFAOYSA-N

Cite this record

CBID:309268 http://www.chembase.cn/molecule-309268.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
IUPAC Traditional name
3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
Synonyms
3-(2-aminophenyl)-5-methyl-2,4-imidazolidinedione
CAS Number
1218456-21-3
MDL Number
MFCD13704914

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.17081301  LogD (pH = 7.4) 0.17124613 
Log P 0.17125234  Molar Refractivity 54.9147 cm3
Polarizability 20.539787 Å3 Polar Surface Area 75.43 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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