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Clonidine-d4 Hydrochloride

CAT: 0572-TRC-C587132-10MGSize: 10 mgDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C587132-10MGSize:10 mg
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CAS Number
67151-02-4
Hazard Statement
Fatal if inhaled; UN number: UN2811; Packing Group: I
Purity
>95% (HPLC)
Smiles
Cl.[2H]C1([2H])NC(=NC1([2H])[2H])Nc2c(Cl)cccc2Cl
Molecular Formula
C9 2H4 H5 Cl2 N3 . Cl H
Molecular Weight
270.58
InChI
InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H/i4D2,5D2;
Additionnal Information
IUPAC name: 4,4,5,5-tetradeuterio-N-(2,6-dichlorophenyl)-1H-imidazol-2-amine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Clonidine-d4 Hydrochloride
CAS Number67151-02-4
PubChem CID45038695
IUPAC Name4,4,5,5-tetradeuterio-N-(2,6-dichlorophenyl)-1H-imidazol-2-amine;hydrochloride
Molecular FormulaC9H10Cl3N3
Molecular Weight270.6
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity222
SMILES
[2H]C1(C(N=C(N1)NC2=C(C=CC=C2Cl)Cl)([2H])[2H])[2H].Cl
InChI
InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H/i4D2,5D2;
InChIKey
ZNIFSRGNXRYGHF-HGFPCDIYSA-N
Chemical Structure
2D Structure
2D structure of Clonidine-d4 Hydrochloride
CAS: 67151-02-4
CID: 45038695
Formula: C9H10Cl3N3
MW: 270.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass269.019137
Monoisotopic Mass269.019137
Topological Polar Surface Area36.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity222
Isotope Atom Count4
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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