Safinamide Impurity 11

CAT: 1596-AR-S09779-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S09779-01Size:10 Units

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CAS Number

1843368-38-6

Synonyms

(S) -2- ((4-Hydroxybenzyl) amino) propanamide

Molecular Formula

C10H14N2O2

Molecular Weight

194.23

API Name

Safinamide

Chemical Information

(S)-2-((4-Hydroxybenzyl)amino)propanamide

CAS Number	1843368-38-6
PubChem CID	54323013
IUPAC Name	(2S)-2-[(4-hydroxyphenyl)methylamino]propanamide
Molecular Formula	C10H14N2O2
Molecular Weight	194.23
XLogP	0.3
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	189

SMILES

C[C@@H](C(=O)N)NCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H14N2O2/c1-7(10(11)14)12-6-8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H2,11,14)/t7-/m0/s1

InChIKey

SSYMBBYRHLZBTD-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1843368-38-6

CID: 54323013

Formula: C10H14N2O2

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.105527694
Monoisotopic Mass	194.105527694
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	189
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
AR-S09784-01	Safinamide Impurity 18
AR-S09786-01	Safinamide Impurity 19
AR-S01039-01	Safinamide Impurity 1
AR-S09788-01	Safinamide Impurity 20
AR-S09791-01	Safinamide Impurity 10
AR-S09781-01	Safinamide Impurity 14
AR-S09778-01	Safinamide Impurity 9
AR-S09780-01	Safinamide Impurity 12
AR-S01046-01	Safinamide N-oxide impurity
AR-S01045-01	Safinamide N-hydroxy impurity