Adrenaline EP Impurity E

CAT: 1299-RM-A041405-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A041405-02Size:25 mg

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CAS Number

36467-25-1

Synonyms

2- (benzyl (methyl) amino) -1- (3,4-dihydroxyphenyl) ethan-1-one

Molecular Formula

C16H17NO3

Molecular Weight

271.32

Target Alternative Name

Adrenaline

Product Name Synonym

2- (benzyl (methyl) amino) -1- (3,4-dihydroxyphenyl) ethan-1-one

Chemical Information

2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone

CAS Number	36467-25-1
PubChem CID	11254260
IUPAC Name	2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
Molecular Formula	C16H17NO3
Molecular Weight	271.31
XLogP	2.5
Topological Polar Surface Area	60.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	315

SMILES

CN(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H17NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,18-19H,10-11H2,1H3

InChIKey

LVERDXLUFRHUKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36467-25-1

CID: 11254260

Formula: C16H17NO3

MW: 271.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.31
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	271.12084340
Monoisotopic Mass	271.12084340
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	315
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
RM-A041430-01	Adrenaline EP Impurity D
RM-A041410-01	Adrenaline EP Impurity F
RM-A041400-01	Adrenaline; Noradrenaline EP Impurity A; Epinephrine
RM-A041403-01	Adrenaline EP Impurity C; Dipivefrine EP Impurity B
RM-A041402-01	Adrenaline EP Impurity B; Noradrenaline
RM-A041406-01	Rac-Adrenaline EP Impurity F
RM-A041404-01	Rac-Adrenaline EP Impurity D HCl
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E