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71921-91-0 molecular structure
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(5S)-3-methyl-5-(propan-2-yl)imidazolidine-2,4-dione

ChemBase ID: 173833
Molecular Formular: C7H12N2O2
Molecular Mass: 156.18238
Monoisotopic Mass: 156.08987763
SMILES and InChIs

SMILES:
C1(=O)[C@@H](NC(=O)N1C)C(C)C
Canonical SMILES:
CC([C@@H]1NC(=O)N(C1=O)C)C
InChI:
InChI=1S/C7H12N2O2/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11)/t5-/m0/s1
InChIKey:
LMBVKYNWQBSNIR-YFKPBYRVSA-N

Cite this record

CBID:173833 http://www.chembase.cn/molecule-173833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5S)-3-methyl-5-(propan-2-yl)imidazolidine-2,4-dione
IUPAC Traditional name
(5S)-5-isopropyl-3-methylimidazolidine-2,4-dione
Synonyms
3-Methyl-5-(1-methylethyl)-(S)-2,4-imidazolidinedione
3-Methyl-5-(S)-isopropyl Hydantoin
CAS Number
71921-91-0
PubChem SID
164229743
PubChem CID
29983821

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M314555 external link Add to cart
PubChem 29983821 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 29983821 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.982957  H Acceptors
H Donor LogD (pH = 5.5) 0.22971492 
LogD (pH = 7.4) 0.22970384  Log P 0.22971506 
Molar Refractivity 39.4323 cm3 Polarizability 15.37034 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Darkin, H.D., et al.: J. Biol. Chem., 146, 237 (1942)
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PATENTS

PATENTS

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INTERNET

INTERNET

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