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MFCD06655930 molecular structure
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N-tert-butyl-2-(methylamino)acetamide

ChemBase ID: 35433
Molecular Formular: C7H16N2O
Molecular Mass: 144.21474
Monoisotopic Mass: 144.12626314
SMILES and InChIs

SMILES:
C(=O)(NC(C)(C)C)CNC
Canonical SMILES:
CNCC(=O)NC(C)(C)C
InChI:
InChI=1S/C7H16N2O/c1-7(2,3)9-6(10)5-8-4/h8H,5H2,1-4H3,(H,9,10)
InChIKey:
PKKPXMPHLXGWQN-UHFFFAOYSA-N

Cite this record

CBID:35433 http://www.chembase.cn/molecule-35433.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-tert-butyl-2-(methylamino)acetamide
IUPAC Traditional name
N-tert-butyl-2-(methylamino)acetamide
Synonyms
N-(tert-Butyl)-2-(methylamino)acetamide
MDL Number
MFCD06655930
PubChem SID
160998740
PubChem CID
4962512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4962512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.020956  H Acceptors
H Donor LogD (pH = 5.5) -3.215018 
LogD (pH = 7.4) -1.6581804  Log P -0.24420206 
Molar Refractivity 41.3025 cm3 Polarizability 16.35698 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
-0.027 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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