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5625-90-1 molecular structure
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4-(morpholin-4-ylmethyl)morpholine

ChemBase ID: 9720
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
N1(CN2CCOCC2)CCOCC1
Canonical SMILES:
O1CCN(CC1)CN1CCOCC1
InChI:
InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2
InChIKey:
MIFZZKZNMWTHJK-UHFFFAOYSA-N

Cite this record

CBID:9720 http://www.chembase.cn/molecule-9720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(morpholin-4-ylmethyl)morpholine
IUPAC Traditional name
4,4-methylenedimorpholine
Synonyms
N,N'-Dimorpholinomethane
4,4'-Methylenebismorpholine
4,4'-Dimorpholinylmethane
Bis(4-morpholinyl)methane
双(4-吗啉基)甲烷
CAS Number
5625-90-1
MDL Number
MFCD00023369
PubChem SID
160973027
PubChem CID
21839

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21839 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5470444  LogD (pH = 7.4) -0.12719314 
Log P -0.11808597  Molar Refractivity 50.9657 cm3
Polarizability 20.293 Å3 Polar Surface Area 24.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
122-124°C/12mm expand Show data source
136-138°C expand Show data source
Density
1.04 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
38-41 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H318-H315 expand Show data source
GHS Precautionary statements
P280B-P305+P351+P338-P337+P313 expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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