Oxymetazoline EP Impurity E

CAT: 1299-RM-O242505-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O242505-01Size:10 mg

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CAS Number

55699-10-0

Synonyms

2- (4- (tert-butyl) -3-hydroxy-2,6-dimethylphenyl) acetonitrile

Molecular Formula

C14H19NO

Molecular Weight

217.31

Target Alternative Name

Oxymetazoline

Product Name Synonym

2- (4- (tert-butyl) -3-hydroxy-2,6-dimethylphenyl) acetonitrile

Chemical Information

4-tert-Butyl-3-hydroxy-2,6-xylylacetonitrile

CAS Number	55699-10-0
PubChem CID	108756
IUPAC Name	2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile
Molecular Formula	C14H19NO
Molecular Weight	217.31
XLogP	3.6
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	283

SMILES

CC1=CC(=C(C(=C1CC#N)C)O)C(C)(C)C

InChI

InChI=1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3

InChIKey

OUKJZHRCKQJXSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55699-10-0

CID: 108756

Formula: C14H19NO

MW: 217.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.31
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	217.146664230
Monoisotopic Mass	217.146664230
Topological Polar Surface Area	44 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	283
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-O242501-01	Oxymetazoline EP Impurity A
RM-O242504-01	Oxymetazoline EP Impurity D
RM-O242503-01	Oxymetazoline EP Impurity C
RM-X121300-01	Xylometazoline Hcl; Oxymetazoline EP Impurity B
RM-O242510-01	Oxymetazoline Impurity 10
RM-O242508-01	Oxymetazoline Impurity 8
RM-O242516-01	Oxymetazoline Impurity 16
RM-O242515-01	Oxymetazoline Impurity 15
RM-O242518-01	Oxymetazoline Impurity 18
RM-O242517-01	Oxymetazoline Impurity 17

Catalog	Name
AR-O09020-01	Oxymetazoline Impurity 2
AR-O01710-01	Oxymetazoline EP Impurity A
AR-O01715-01	Oxymetazoline Impurity 1
AR-O01713-01	Oxymetazoline EP Impurity D
AR-O01712-01	Oxymetazoline EP Impurity C
AR-O08758-01	Oxymetazoline EP Impurity A HCl
AR-O01714-01	Oxymetazoline EP Impurity E
AR-O01711-01	Oxymetazoline EP Impurity B HCl
AR-X01037-01	Xylometazoline HCl (Oxymetazoline EP Impurity B HCl)
263447-01	4-tert-Butyl-2,6-dimethyl-3-hydroxyphenylacetamide (oxymetazoline impurity)