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3-Hydroxy Detomidine Hydrochloride

CAT: 0572-TRC-H825340-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825340-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794759-72-0
Synonyms
3-(1H-Imidazol-5-ylmethyl)-2-methylbenzenemethanol Hydrochloride; 3-(1H-Imidazol-4-ylmethyl)-2-methylbenzenemethanol Hydrochloride;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.Cc1c(CO)cccc1Cc2c[nH]cn2
Molecular Formula
C12 H14 N2 O . Cl H
Molecular Weight
238.71
InChI
InChI=1S/C12H14N2O.ClH/c1-9-10(3-2-4-11(9)7-15)5-12-6-13-8-14-12;/h2-4,6,8,15H,5,7H2,1H3,(H,13,14);1H
Additionnal Information
IUPAC name: [3-(1H-imidazol-4-ylmethyl)-2-methylphenyl]methanol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy Detomidine Hydrochloride
CAS Number1794759-72-0
PubChem CID71748864
IUPAC Name[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]methanol;hydrochloride
Molecular FormulaC12H15ClN2O
Molecular Weight238.71
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity198
SMILES
CC1=C(C=CC=C1CO)CC2=CN=CN2.Cl
InChI
InChI=1S/C12H14N2O.ClH/c1-9-10(3-2-4-11(9)7-15)5-12-6-13-8-14-12;/h2-4,6,8,15H,5,7H2,1H3,(H,13,14);1H
InChIKey
JHQUAWVVRURKMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Detomidine Hydrochloride
CAS: 1794759-72-0
CID: 71748864
Formula: C12H15ClN2O
MW: 238.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass238.0872908
Monoisotopic Mass238.0872908
Topological Polar Surface Area48.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity198
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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