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MFCD09943853 molecular structure
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N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide

ChemBase ID: 35412
Molecular Formular: C7H17N3O
Molecular Mass: 159.22938
Monoisotopic Mass: 159.13716218
SMILES and InChIs

SMILES:
C(=O)(NCCN(C)C)CNC
Canonical SMILES:
CNCC(=O)NCCN(C)C
InChI:
InChI=1S/C7H17N3O/c1-8-6-7(11)9-4-5-10(2)3/h8H,4-6H2,1-3H3,(H,9,11)
InChIKey:
NLCSJVHTLNDBLJ-UHFFFAOYSA-N

Cite this record

CBID:35412 http://www.chembase.cn/molecule-35412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
IUPAC Traditional name
N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
Synonyms
N-[2-(Dimethylamino)ethyl]-2-(methylamino)-acetamide
MDL Number
MFCD09943853
PubChem SID
160998719
PubChem CID
24704537

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
038185 external link Add to cart Please log in.
Data Source Data ID
PubChem 24704537 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.108053  H Acceptors
H Donor LogD (pH = 5.5) -7.1386747 
LogD (pH = 7.4) -3.8337088  Log P -1.2795172 
Molar Refractivity 45.516 cm3 Polarizability 17.88486 Å3
Polar Surface Area 44.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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