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Tymazoline Hydrochloride

CAT: 0572-TRC-T898250-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T898250-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28120-03-8
Synonyms
1H-Imidazole, 4,5-dihydro-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-, hydrochloride (1:1); 1H-Imidazole, 4,5-dihydro-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-, monohydrochloride (9CI); 2-Imidazoline, 2-[(thymyloxy)methyl]-, monohydrochloride (8CI); 2-(Thymyloxymethyl)glyoxalidine hydrochloride; Thymazen; Tymazoline hydrochloride
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cl.CC(C)c1ccc(C)cc1OCC2=NCCN2
Molecular Formula
C14 H20 N2 O . Cl H
Molecular Weight
268.78
InChI
InChI=1S/C14H20N2O.ClH/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14;/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16);1H
Additionnal Information
IUPAC name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tymazoline hydrochloride
CAS Number28120-03-8
PubChem CID13022715
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Molecular FormulaC14H21ClN2O
Molecular Weight268.78
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity275
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC2=NCCN2.Cl
InChI
InChI=1S/C14H20N2O.ClH/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14;/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16);1H
InChIKey
DKIDQLUKAZZLAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tymazoline hydrochloride
CAS: 28120-03-8
CID: 13022715
Formula: C14H21ClN2O
MW: 268.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass268.1342410
Monoisotopic Mass268.1342410
Topological Polar Surface Area33.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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