Etilefrine Impurity D

CAT: 1596-AR-E02116-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E02116-02Size:25 Units

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CAS Number

42146-10-1

Synonyms

2- (benzyl (ethyl) amino) -1- (3-hydroxyphenyl) ethanone

Molecular Formula

C17H19NO2

Molecular Weight

269.35

API Name

Etilefrine

Chemical Information

Etilefrine Impurity D

CAS Number	42146-10-1
PubChem CID	62320
IUPAC Name	2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone
Molecular Formula	C17H19NO2
Molecular Weight	269.34
XLogP	3.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	299

SMILES

CCN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C17H19NO2/c1-2-18(12-14-7-4-3-5-8-14)13-17(20)15-9-6-10-16(19)11-15/h3-11,19H,2,12-13H2,1H3

InChIKey

BBEZNAJZTFTHOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42146-10-1

CID: 62320

Formula: C17H19NO2

MW: 269.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.34
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	269.141578849
Monoisotopic Mass	269.141578849
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-E10676-01	Etilefrine Impurity 2
AR-E10675-01	Etilefrine Impurity 1
AR-E02114-01	Etilefrine Impurity F
AR-E10679-01	Etilefrine EP Impurity A HCl
AR-E02310-01	Etilefrine EP Impurity B Hydrochloride
AR-E02115-01	Etilefrine
AR-E10677-01	N-Nitroso Etilefrine EP Impurity F
AR-E02117-01	Etilefrine EP Impurity E (3-Hydroxy Acetophenone)
AR-E10678-01	N-Nitroso Etilefrine
AR-E08937	Etilefrine HCl Salt

Catalog	Name
RM-E202001-01	Etilefrine Hydrochloride EP Impurity A
RM-E202006-01	Etilefrine hydrochloride EP Impurity F
RM-E202004-01	Etilefrine hydrochloride EP Impurity D
RM-E202005-01	Etilefrine Hydrochloride EP Impurity E
RM-P141227-01	Phenylephrine Impurity 27; Etilefrine Hydrochloride EP Impurity B
RM-N151851-01	Etilefrine Hydrochloride EP Impurity C; Noradrenaline (Norepinephrine) Impurity 51
MBS5796734-01	Etilefrine
FE33708-01	Etilefrine hydrochloride
275496-01	Etilefrine HCl
HY-A0144R-01	Etilefrine (Standard)