Phenylephrine Impurity 13

CAT: 1299-RM-P141213-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P141213-04Size:100 mg

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CAS Number

137886-42-1

Synonyms

N- (2-hydroxy-2- (3-hydroxyphenyl) ethyl) -N-methylnitrous amide

Molecular Formula

C9H12N2O3

Molecular Weight

196.2

Target Alternative Name

Phenylephrine

Product Name Synonym

N- (2-hydroxy-2- (3-hydroxyphenyl) ethyl) -N-methylnitrous amide

Chemical Information

N-(2-hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylnitrous amide

CAS Number	137886-42-1
PubChem CID	176472923
IUPAC Name	N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylnitrous amide
Molecular Formula	C9H12N2O3
Molecular Weight	196.20
XLogP	0.7
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	189

SMILES

CN(CC(C1=CC(=CC=C1)O)O)N=O

InChI

InChI=1S/C9H12N2O3/c1-11(10-14)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3

InChIKey

JKVBNSISJSOSBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137886-42-1

CID: 176472923

Formula: C9H12N2O3

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	196.08479225
Monoisotopic Mass	196.08479225
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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