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615-84-9 molecular structure
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N,N'-diethylethanediamide

ChemBase ID: 295919
Molecular Formular: C6H12N2O2
Molecular Mass: 144.17168
Monoisotopic Mass: 144.08987763
SMILES and InChIs

SMILES:
CCNC(=O)C(=O)NCC
Canonical SMILES:
CCNC(=O)C(=O)NCC
InChI:
InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKey:
FFYAVOJIYAAUNX-UHFFFAOYSA-N

Cite this record

CBID:295919 http://www.chembase.cn/molecule-295919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-diethylethanediamide
IUPAC Traditional name
N,N'-diethyl-oxalamide
Synonyms
N,N'-Diethyloxamide
N,N'-二乙基草酰胺
CAS Number
615-84-9
EC Number
210-451-7
MDL Number
MFCD00043650
PubChem SID
180681450
PubChem CID
69210

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 69210 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.379968  H Acceptors
H Donor LogD (pH = 5.5) -0.7166688 
LogD (pH = 7.4) -0.71666914  Log P -0.7166688 
Molar Refractivity 37.3736 cm3 Polarizability 14.254132 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
178-182°C expand Show data source
TSCA Listed
expand Show data source
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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