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452105-35-0 molecular structure
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4-[(2R)-oxiran-2-ylmethyl]morpholine

ChemBase ID: 65936
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
C1CN(CCO1)C[C@@H]1CO1
Canonical SMILES:
O1CCN(CC1)C[C@@H]1CO1
InChI:
InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2/t7-/m1/s1
InChIKey:
KKWQCCPQBCHJBZ-SSDOTTSWSA-N

Cite this record

CBID:65936 http://www.chembase.cn/molecule-65936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2R)-oxiran-2-ylmethyl]morpholine
IUPAC Traditional name
4-[(2R)-oxiran-2-ylmethyl]morpholine
Synonyms
Morpholine, 4-[(2R)-oxiranylmethyl]- (9CI)
CAS Number
452105-35-0
MDL Number
MFCD18830136
PubChem SID
162031675
PubChem CID
7129245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 7129245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.502022  LogD (pH = 7.4) -0.2836005 
Log P -0.18706436  Molar Refractivity 37.8073 cm3
Polarizability 15.092001 Å3 Polar Surface Area 25.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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