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36033-33-7 molecular structure
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5,5-dipropylimidazolidine-2,4-dione

ChemBase ID: 230920
Molecular Formular: C9H16N2O2
Molecular Mass: 184.23554
Monoisotopic Mass: 184.12117776
SMILES and InChIs

SMILES:
N1C(=O)NC(C1=O)(CCC)CCC
Canonical SMILES:
CCCC1(CCC)NC(=O)NC1=O
InChI:
InChI=1S/C9H16N2O2/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKey:
TVKULRRHIFBSPZ-UHFFFAOYSA-N

Cite this record

CBID:230920 http://www.chembase.cn/molecule-230920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,5-dipropylimidazolidine-2,4-dione
IUPAC Traditional name
5,5-dipropylimidazolidine-2,4-dione
Synonyms
5,5-Dipropyl-imidazolidine-2,4-dione
CAS Number
36033-33-7
MDL Number
MFCD03951076
PubChem SID
164286830
PubChem CID
234754

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-04403 external link Add to cart Please log in.
Data Source Data ID
PubChem 234754 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.193731  H Acceptors
H Donor LogD (pH = 5.5) 1.485483 
LogD (pH = 7.4) 1.484802  Log P 1.4854918 
Molar Refractivity 48.5033 cm3 Polarizability 19.027044 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
205 - 207°C expand Show data source
Hydrophobicity(logP)
1.463 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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