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26549-65-5 molecular structure
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2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide

ChemBase ID: 178481
Molecular Formular: C8H16N2O4
Molecular Mass: 204.22364
Monoisotopic Mass: 204.111007
SMILES and InChIs

SMILES:
CN(C(=O)C(C(C(=O)N(C)C)O)O)C
Canonical SMILES:
OC(C(C(=O)N(C)C)O)C(=O)N(C)C
InChI:
InChI=1S/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3
InChIKey:
PCYDYHRBODKVEL-UHFFFAOYSA-N

Cite this record

CBID:178481 http://www.chembase.cn/molecule-178481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
IUPAC Traditional name
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
Synonyms
Weinsaeure-bis-dimethylamid
2,3-Dihydroxy-N,N,N’,N’-tetramethyl-succinamide
N,N,N',N'-Tetramethyltartramide
CAS Number
26549-65-5
PubChem SID
164234391
PubChem CID
551829

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC T305375 external link Add to cart
PubChem 551829 external link
Data Source Data ID Price
TRC
T305375 external link Add to cart Please log in.
Data Source Data ID
PubChem 551829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.674234  H Acceptors
H Donor LogD (pH = 5.5) -2.5479813 
LogD (pH = 7.4) -2.548004  Log P -2.5479808 
Molar Refractivity 49.4446 cm3 Polarizability 19.263136 Å3
Polar Surface Area 81.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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