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106-56-9 molecular structure
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2,5-dimethylmorpholine

ChemBase ID: 255253
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
N1CC(OCC1C)C
Canonical SMILES:
CC1OCC(NC1)C
InChI:
InChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKey:
RPSYMAMREDJAES-UHFFFAOYSA-N

Cite this record

CBID:255253 http://www.chembase.cn/molecule-255253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethylmorpholine
IUPAC Traditional name
2,5-dimethylmorpholine
Synonyms
2,5-dimethylmorpholine
CAS Number
106-56-9
MDL Number
MFCD09971504
PubChem SID
164311163
PubChem CID
517880

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 517880 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5051684  LogD (pH = 7.4) -0.90756655 
Log P 0.42177114  Molar Refractivity 32.6055 cm3
Polarizability 13.269628 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.63 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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