N-Nitroso-Phenylephrine

CAT: 1299-RM-P141274-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P141274-02Size:25 mg

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CAS Number

78658-64-7

Synonyms

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

Molecular Formula

C9H12N2O3

Molecular Weight

196.21

Target Alternative Name

Phenylephrine

Product Name Synonym

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

Chemical Information

N-nitroso-phenylephrine

CAS Number	78658-64-7
PubChem CID	165729371
IUPAC Name	N-[(2R)-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(C[C@@H](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/t9-/m0/s1

InChIKey

JKVBNSISJSOSBA-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 78658-64-7

CID: 165729371

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	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
RM-P141294-01	Phenylephrine Nitroso Impurity 94
RM-P141293-01	Phenylephrine Nitroso Impurity 93
RM-P141288-01	Phenylephrine Nitroso Impurity 88
RM-P141286-01	Phenylephrine Nitroso Impurity 86
RM-P141287-01	Phenylephrine Nitroso Impurity 87
RM-P141285-01	Phenylephrine Nitroso Impurity 85
RM-P141200-01	Phenylephrine
RM-S030010-01	N-Nitroso-Albuterol (N-Nitroso-Salbutamol)
RM-P141268-01	Phenylephrine-D3
RM-P141210-01	N- (2-Succinyl) Phenylephrine (Mixture Of Diastereomers)

Catalog	Name
TRC-N542060-250MG	N-Nitroso Phenylephrine
AR-P33692-01	N-Nitroso (S) -Phenylephrine (N-Nitroso Phenylephrine EP Impurity A (S-Isomer) )
CS-P-08827-10MG	N-Nitroso Phenylephrine (Mixture of Isomers)
CS-P-08827-1.5ML	N-nitroso-phenylephrine-100 PPM in Acetonitrile
CS-O-63995	N-Nitroso Phenylephrine EP Impurity C
CS-O-63736	N-Nitroso Phenylephrine-d3 solution in methanol
TRC-KIT3492-1X1ML	N-Nitroso Phenylephrine (1mg/mL in methanol)
CS-O-40425	N-Nitroso Phenylephrine-d3 (Mixture of Isomers)
CS-O-55126	N-Nitroso Phenylephrine (1 mg/ml in methanol)
CS-O-61034	N-Nitroso Phenylephrine Solution (1mL (1mg/mL) )