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Safinamide Impurity B

CAT: 1299-RM-S061402-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S061402-01Size:10 mg
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CAS Number
174756-44-6
Synonyms
(R) -2- ((4- ((3-fluorobenzyl) oxy) benzyl) amino) propanamide
Molecular Formula
C17H19FN2O2
Molecular Weight
302.34
Target Alternative Name
Safinamide
Product Name Synonym
(R) -2- ((4- ((3-fluorobenzyl) oxy) benzyl) amino) propanamide

Chemical Information

(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide

(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide is an amino acid amide.

CAS Number174756-44-6
PubChem CID5487407
IUPAC Name(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Molecular FormulaC17H19FN2O2
Molecular Weight302.34
XLogP2.2
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
C[C@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
InChIKey
NEMGRZFTLSKBAP-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CAS: 174756-44-6
CID: 5487407
Formula: C17H19FN2O2
MW: 302.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.34
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass302.14305602
Monoisotopic Mass302.14305602
Topological Polar Surface Area64.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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