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44565-47-1 molecular structure
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N-methyl-2-(methylamino)acetamide

ChemBase ID: 120123
Molecular Formular: C4H10N2O
Molecular Mass: 102.135
Monoisotopic Mass: 102.07931295
SMILES and InChIs

SMILES:
C(=O)(NC)CNC
Canonical SMILES:
CNCC(=O)NC
InChI:
InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)
InChIKey:
NODGJSNKUCVLNN-UHFFFAOYSA-N

Cite this record

CBID:120123 http://www.chembase.cn/molecule-120123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(methylamino)acetamide
IUPAC Traditional name
N-methyl-2-(methylamino)acetamide
Synonyms
N~1~,N~2~-dimethylglycinamide
N-methyl-2-(methylamino)acetamide
N1,N2-Dimethylglycinamide
CAS Number
44565-47-1
MDL Number
MFCD06375938
PubChem SID
162214476
PubChem CID
2463138

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2463138 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.172451  H Acceptors
H Donor LogD (pH = 5.5) -4.269551 
LogD (pH = 7.4) -2.713311  Log P -1.2981617 
Molar Refractivity 27.4969 cm3 Polarizability 10.84336 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C4H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00235 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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