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41458-73-5 molecular structure
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2-(methylamino)-1-(morpholin-4-yl)ethan-1-one hydrochloride

ChemBase ID: 48761
Molecular Formular: C7H15ClN2O2
Molecular Mass: 194.6592
Monoisotopic Mass: 194.08220541
SMILES and InChIs

SMILES:
N1(C(=O)CNC)CCOCC1.Cl
Canonical SMILES:
CNCC(=O)N1CCOCC1.Cl
InChI:
InChI=1S/C7H14N2O2.ClH/c1-8-6-7(10)9-2-4-11-5-3-9;/h8H,2-6H2,1H3;1H
InChIKey:
VODZMSSGYONLOC-UHFFFAOYSA-N

Cite this record

CBID:48761 http://www.chembase.cn/molecule-48761.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylamino)-1-(morpholin-4-yl)ethan-1-one hydrochloride
IUPAC Traditional name
2-(methylamino)-1-(morpholin-4-yl)ethanone hydrochloride
Synonyms
2-(Methylamino)-1-(4-morpholinyl)-1-ethanone hydrochloride
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)amine hydrochloride
CAS Number
41458-73-5
MDL Number
MFCD08060102
PubChem SID
162053524
PubChem CID
17750372

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750372 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.2688384  LogD (pH = 7.4) -2.7173178 
Log P -1.2929862  Molar Refractivity 41.4681 cm3
Polarizability 16.35 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
186 - 188°C expand Show data source
Hydrophobicity(logP)
-0.714 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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