Medetomidine Impurity 46

CAT: 1299-RM-M042046-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M042046-01Size:10 mg

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CAS Number

2289714-16-3

Synonyms

(S) -4- (1- (2,3-dimethylphenyl) ethyl) -1-ethyl-1H-imidazole

Molecular Formula

C15H20N2

Molecular Weight

228.33

Target Alternative Name

Medetomidine

Product Name Synonym

(S) -4- (1- (2,3-dimethylphenyl) ethyl) -1-ethyl-1H-imidazole

Chemical Information

Medetomidine Impurity 46

CAS Number	2289714-16-3
PubChem CID	149100596
IUPAC Name	4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-ethylimidazole
Molecular Formula	C15H20N2
Molecular Weight	228.33
XLogP	3.3
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	241

SMILES

CCN1C=C(N=C1)[C@@H](C)C2=CC=CC(=C2C)C

InChI

InChI=1S/C15H20N2/c1-5-17-9-15(16-10-17)13(4)14-8-6-7-11(2)12(14)3/h6-10,13H,5H2,1-4H3/t13-/m0/s1

InChIKey

QUNXMEPJNYGHQA-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 2289714-16-3

CID: 149100596

Formula: C15H20N2

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	228.162648646
Monoisotopic Mass	228.162648646
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
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