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Morpholine Impurity 61

CAT: 1299-RM-M150961-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M150961-03Size:25 mg
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CAS Number
1130061-44-7
Synonyms
(2R,5R) -2,5-dimethylmorpholine
Molecular Formula
C6H13NO
Molecular Weight
115.18
Target Alternative Name
Morpholine

Chemical Information

(2R,5R)-2,5-Dimethylmorpholine
CAS Number1130061-44-7
PubChem CID28819207
IUPAC Name(2R,5R)-2,5-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
Complexity74
SMILES
C[C@@H]1CN[C@@H](CO1)C
InChI
InChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
RPSYMAMREDJAES-PHDIDXHHSA-N
Chemical Structure
2D Structure
2D structure of (2R,5R)-2,5-Dimethylmorpholine
CAS: 1130061-44-7
CID: 28819207
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
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
Complexity74.9
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes