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4-Octylmorpholine

CAT: 0127-OR1049952-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1049952-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13063-60-0
MDL Number
MFCD00047423
Purity
95%
Smiles
CCCCCCCCN1CCOCC1

Chemical Information

4-Octylmorpholine
CAS Number13063-60-0
PubChem CID83099
IUPAC Name4-octylmorpholine
Molecular FormulaC12H25NO
Molecular Weight199.33
XLogP3.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity121
SMILES
CCCCCCCCN1CCOCC1
InChI
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2-12H2,1H3
InChIKey
NMLNNXGEQCSYGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Octylmorpholine
CAS: 13063-60-0
CID: 83099
Formula: C12H25NO
MW: 199.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.33
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass199.193614421
Monoisotopic Mass199.193614421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity121
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