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16252-63-4 molecular structure
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3-amino-1,3-diazaspiro[4.5]decane-2,4-dione

ChemBase ID: 232127
Molecular Formular: C8H13N3O2
Molecular Mass: 183.20772
Monoisotopic Mass: 183.10077667
SMILES and InChIs

SMILES:
N1(C(=O)NC2(C1=O)CCCCC2)N
Canonical SMILES:
NN1C(=O)NC2(C1=O)CCCCC2
InChI:
InChI=1S/C8H13N3O2/c9-11-6(12)8(10-7(11)13)4-2-1-3-5-8/h1-5,9H2,(H,10,13)
InChIKey:
WBQKKCPPKSUXTI-UHFFFAOYSA-N

Cite this record

CBID:232127 http://www.chembase.cn/molecule-232127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-1,3-diazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
3-amino-1,3-diazaspiro[4.5]decane-2,4-dione
Synonyms
3-Amino-1,3-diaza-spiro[4.5]decane-2,4-dione
CAS Number
16252-63-4
MDL Number
MFCD03989627
PubChem SID
164288037
PubChem CID
2437589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-06284 external link Add to cart Please log in.
Data Source Data ID
PubChem 2437589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.283954  H Acceptors
H Donor LogD (pH = 5.5) 0.2804927 
LogD (pH = 7.4) 0.28066257  Log P 0.28072152 
Molar Refractivity 46.5842 cm3 Polarizability 17.921228 Å3
Polar Surface Area 75.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
164 - 166°C expand Show data source
Hydrophobicity(logP)
-0.082 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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