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2,6-Dimethylmorpholine

CAT: 0926-FD71997-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FD71997-02Size:50 g
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CAS Number
141-91-3
MDL Number
MFCD00005973
Smiles
CC1CNCC (O1) C
Molecular Formula
C6H13NO
Molecular Weight
115.17 g/mol
Controlled
No

Chemical Information

2,6-Dimethylmorpholine

2,6-dimethyl morpholine is a clear liquid. (NTP, 1992)

CAS Number141-91-3
PubChem CID110862
IUPAC Name2,6-dimethylmorpholine
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP0.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
CC1CNCC(O1)C
InChI
InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
InChIKey
HNVIQLPOGUDBSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethylmorpholine
CAS: 141-91-3
CID: 110862
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP30.3
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
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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