Phenylephrine EP Impurity C

CAT: 1299-RM-P141203-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P141203-02Size:25 mg

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CAS Number

52093-42-2

Synonyms

1- (3-hydroxyphenyl) -2- (methylamino) ethanone

Molecular Formula

C9H11NO2

Molecular Weight

165.19

Target Alternative Name

Phenylephrine

Product Name Synonym

1- (3-hydroxyphenyl) -2- (methylamino) ethanone

Chemical Information

Phenylephrone

structure in first source

CAS Number	52093-42-2
PubChem CID	3024111
IUPAC Name	1-(3-hydroxyphenyl)-2-(methylamino)ethanone
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CNCC(=O)C1=CC(=CC=C1)O

InChI

InChI=1S/C9H11NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,10-11H,6H2,1H3

InChIKey

BDLRAEZKFVYJPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52093-42-2

CID: 3024111

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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-P141201-01	Phenylephrine EP Impurity A
RM-P141205-01	Phenylephrine EP Impurity E
RM-P141204-01	Phenylephrine EP Impurity D
RM-P141264-01	Phenylephrine EP Impurity A (S-Isomer)
RM-P141227-01	Phenylephrine Impurity 27; Etilefrine Hydrochloride EP Impurity B
RM-P141284-01	Phenylephrine Impurity 84
RM-P141299-01	Phenylephrine Impurity 99
RM-P141298-01	Phenylephrine Impurity 98
RM-P141297-01	Phenylephrine Impurity 97
RM-P141269-01	Phenylephrine Impurity 69

Catalog	Name
MBS6028149-01	rac Benzyl Phenylephrine (Phenylephrine Impurity D)
TRC-B288630-10MG	rac Benzyl Phenylephrine(Phenylephrine Impurity D)
AR-P31260-01	Phenylephrine Impurity 73
AR-P31266-01	Phenylephrine Impurity 35
AR-P31275-01	Phenylephrine Impurity 57
AR-P31278-01	Phenylephrine Impurity 62
AR-P01753-01	Phenylephrine Impurity 18
AR-P31259-01	Phenylephrine Impurity 72
AR-P31263-01	Phenylephrine Impurity 77
AR-P31265-01	Phenylephrine Impurity 34