Safinamide 5g

CAT: 0628-A13294-5000Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0628-A13294-5000Size:5000 mg

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CAS Number

133865-89-1

Chemical Information

Safinamide

Safinamide is an amino acid amide.

CAS Number	133865-89-1
PubChem CID	131682
IUPAC Name	(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Molecular Formula	C17H19FN2O2
Molecular Weight	302.34
XLogP	2.2
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	346

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-/m0/s1

InChIKey

NEMGRZFTLSKBAP-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 133865-89-1

CID: 131682

Formula: C17H19FN2O2

MW: 302.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.34
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	302.14305602
Monoisotopic Mass	302.14305602
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A3784-500	Safinamide
A4368-50	Safinamide Mesylate