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2-Ethyl-5-methylmorpholine

CAT: 0926-IJB45347-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-IJB45347-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
858453-47-1
MDL Number
MFCD11652993
Smiles
CCC1CNC (CO1) C
Molecular Formula
C7H15NO
Molecular Weight
129.2 g/mol
Controlled
No

Chemical Information

2-Ethyl-5-methylmorpholine
CAS Number858453-47-1
PubChem CID20201056
IUPAC Name2-ethyl-5-methylmorpholine
Molecular FormulaC7H15NO
Molecular Weight129.20
XLogP0.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CCC1CNC(CO1)C
InChI
InChI=1S/C7H15NO/c1-3-7-4-8-6(2)5-9-7/h6-8H,3-5H2,1-2H3
InChIKey
WISZZHKHSREDOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-methylmorpholine
CAS: 858453-47-1
CID: 20201056
Formula: C7H15NO
MW: 129.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.20
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.115364102
Monoisotopic Mass129.115364102
Topological Polar Surface Area21.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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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