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

ChemBase ID: 49219
Molecular Formular: C4H11ClN2O
Molecular Mass: 138.59594
Monoisotopic Mass: 138.05599066
SMILES and InChIs

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

Cite this record

CBID:49219 http://www.chembase.cn/molecule-49219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(methylamino)acetamide hydrochloride
IUPAC Traditional name
N-methyl-2-(methylamino)acetamide hydrochloride
Synonyms
N-Methyl-2-(methylamino)acetamide hydrochloride
CAS Number
44565-47-1
MDL Number
MFCD07290085
PubChem SID
162053982
PubChem CID
16246823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16246823 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
233 - 235°C expand Show data source
Hydrophobicity(logP)
-1.264 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
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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