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3,3-Dimethylmorpholine

CAT: 0127-OR951422-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR951422-01Size:250 mg
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CAS Number
59229-63-9
MDL Number
MFCD09608072
Purity
97%
Smiles
CC1(C)COCCN1

Chemical Information

3,3-Dimethylmorpholine
CAS Number59229-63-9
PubChem CID14551849
IUPAC Name3,3-dimethylmorpholine
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP0
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity80
SMILES
CC1(COCCN1)C
InChI
InChI=1S/C6H13NO/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3
InChIKey
HEYGLTRAXBZNAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Dimethylmorpholine
CAS: 59229-63-9
CID: 14551849
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass115.099714038
Monoisotopic Mass115.099714038
Topological Polar Surface Area21.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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