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3-[ (Oxan-4-yl) methyl]morpholine

CAT: 0926-PAD61434-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PAD61434-01Size:50 mg
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CAS Number
1889614-34-9
MDL Number
MFCD31453591
Smiles
C1COCCC1CC2COCCN2
Molecular Formula
C10H19NO2
Molecular Weight
185.26 g/mol
Controlled
No

Chemical Information

3-((Oxan-4-yl)methyl)morpholine
CAS Number1889614-34-9
PubChem CID116927985
IUPAC Name3-(oxan-4-ylmethyl)morpholine
Molecular FormulaC10H19NO2
Molecular Weight185.26
XLogP0.4
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity146
SMILES
C1COCCC1CC2COCCN2
InChI
InChI=1S/C10H19NO2/c1-4-12-5-2-9(1)7-10-8-13-6-3-11-10/h9-11H,1-8H2
InChIKey
JPMNMLHPVNQMRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((Oxan-4-yl)methyl)morpholine
CAS: 1889614-34-9
CID: 116927985
Formula: C10H19NO2
MW: 185.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.26
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass185.141578849
Monoisotopic Mass185.141578849
Topological Polar Surface Area30.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity146
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