Xylometazoline EP Impurity D

CAT: 1299-RM-X121302-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-X121302-01Size:10 mg

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CAS Number

98-19-1

Synonyms

1- (1,1-Dimethylethyl) -3,5-dimethylbenzene

Molecular Formula

C12H18

Molecular Weight

162.27

Target Alternative Name

Xylometazoline

Product Name Synonym

1- (1,1-Dimethylethyl) -3,5-dimethylbenzene

Chemical Information

5-Tert-butyl-m-xylene

CAS Number	98-19-1
PubChem CID	7378
IUPAC Name	1-tert-butyl-3,5-dimethylbenzene
Molecular Formula	C12H18
Molecular Weight	162.27
XLogP	4.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	131

SMILES

CC1=CC(=CC(=C1)C(C)(C)C)C

InChI

InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98-19-1

CID: 7378

Formula: C12H18

MW: 162.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.27
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	162.140850574
Monoisotopic Mass	162.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	131
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-X121304-01	Xylometazoline EP Impurity A
RM-X121305-01	Xylometazoline EP Impurity B
RM-X121303-01	Xylometazoline EP Impurity F
RM-X121301-01	Xylometazoline EP Impurity C
RM-X121306-01	Xylometazoline EP Impurity E
RM-X121300-01	Xylometazoline Hcl; Oxymetazoline EP Impurity B
RM-X121312-01	Xylometazoline Impurity 12
RM-X121308-01	Xylometazoline Impurity 8
RM-X121311-01	Xylometazoline Impurity 11
RM-X121309-01	Xylometazoline Impurity 9

Catalog	Name
CS-T-66135	Xylometazoline EP Impurity A
CS-O-32633	Xylometazoline Hydrochloride EP impurity A
CS-K-00133	Xylometazoline Hydrochloride impurity C
CS-K-00132	Xylometazoline EP Impurity B
AR-X19846-01	Xylometazoline EP Impurity F
AR-X19844-01	Xylometazoline EP Impurity C
AR-X19845-01	Xylometazoline EP Impurity D
CS-O-41266	Xylometazoline Hydrochloride - Impurity E
AR-X19842-01	Xylometazoline EP Impurity D-d9
AR-X01037-01	Xylometazoline HCl (Oxymetazoline EP Impurity B HCl)