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2,2-Dimethyl-6- (phenoxymethyl) morpholine

CAT: 0926-DXC60072-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DXC60072-01Size:50 mg
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CAS Number
1803600-72-7
MDL Number
MFCD28968146
Smiles
CC1 (CNCC (O1) COC2=CC=CC=C2) C
Molecular Formula
C13H19NO2
Molecular Weight
221.29 g/mol
Controlled
No

Chemical Information

2,2-Dimethyl-6-(phenoxymethyl)morpholine
CAS Number1803600-72-7
PubChem CID119031175
IUPAC Name2,2-dimethyl-6-(phenoxymethyl)morpholine
Molecular FormulaC13H19NO2
Molecular Weight221.29
XLogP1.8
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
CC1(CNCC(O1)COC2=CC=CC=C2)C
InChI
InChI=1S/C13H19NO2/c1-13(2)10-14-8-12(16-13)9-15-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey
JQGXNISTJBQAFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethyl-6-(phenoxymethyl)morpholine
CAS: 1803600-72-7
CID: 119031175
Formula: C13H19NO2
MW: 221.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight221.29
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass221.141578849
Monoisotopic Mass221.141578849
Topological Polar Surface Area30.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes