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4-Benzyl-3-hydroxymethylmorpholine

CAT: 0024-sc-261681ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-261681ASize:1 g
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CAS Number
110167-20-9

Chemical Information

(4-Benzylmorpholin-3-yl)methanol
CAS Number110167-20-9
PubChem CID5058361
IUPAC Name(4-benzylmorpholin-3-yl)methanol
Molecular FormulaC12H17NO2
Molecular Weight207.27
XLogP0.8
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity180
SMILES
C1COCC(N1CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey
CPLXVETYMUMERG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Benzylmorpholin-3-yl)methanol
CAS: 110167-20-9
CID: 5058361
Formula: C12H17NO2
MW: 207.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.27
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.125928785
Monoisotopic Mass207.125928785
Topological Polar Surface Area32.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity180
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

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CatalogName
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