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64269-03-0 molecular structure
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[1-(morpholin-4-yl)cyclohexyl]methanamine

ChemBase ID: 16978
Molecular Formular: C11H22N2O
Molecular Mass: 198.30518
Monoisotopic Mass: 198.17321333
SMILES and InChIs

SMILES:
C1(N2CCOCC2)(CCCCC1)CN
Canonical SMILES:
NCC1(CCCCC1)N1CCOCC1
InChI:
InChI=1S/C11H22N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChIKey:
MCIDPQNLGSHVEJ-UHFFFAOYSA-N

Cite this record

CBID:16978 http://www.chembase.cn/molecule-16978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(morpholin-4-yl)cyclohexyl]methanamine
IUPAC Traditional name
[1-(morpholin-4-yl)cyclohexyl]methanamine
Synonyms
1-(1-morpholin-4-ylcyclohexyl)methanamine
(1-morpholinocyclohexyl)methanamine
1-(4-Morpholino)cyclohexanemethylamine
1-(4-Morpholinyl)cyclohexanemethylamine
C-(1-Morpholin-4-yl-cyclohexyl)-methylamine
(1-morpholin-4-ylcyclohexyl)methylamine
1-(4-吗啉环己基)甲胺
CAS Number
64269-03-0
MDL Number
MFCD05201344
PubChem SID
160980285
PubChem CID
3157486

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0391004  LogD (pH = 7.4) -1.1732545 
Log P 0.89772445  Molar Refractivity 57.9162 cm3
Polarizability 23.27968 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
25°C expand Show data source
Hydrophobicity(logP)
1.6 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3259 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 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
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
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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