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Dopamine-d3 Hydrochloride

CAT: 0572-TRC-D533785-15MGSize: 15 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D533785-15MGSize:15 mg
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CAS Number
53587-30-7
Synonyms
2-(3,4-Dihydroxyphenyl-d3)ethylamine HCl
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.[2H]c1c([2H])c(CCN)c([2H])c(O)c1O
Molecular Formula
C8 D3 H8 N O2 . Cl H
Molecular Weight
192.66
InChI
InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i1D,2D,5D;
Additionnal Information
IUPAC name: 4-(2-aminoethyl)-3,5,6-trideuteriobenzene-1,2-diol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(3,4-Dihydroxyphenyl-D3)ethylamine hcl
CAS Number53587-30-7
PubChem CID11993857
IUPAC Name4-(2-aminoethyl)-3,5,6-trideuteriobenzene-1,2-diol;hydrochloride
Molecular FormulaC8H12ClNO2
Molecular Weight192.66
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity119
SMILES
[2H]C1=C(C(=C(C(=C1CCN)[2H])O)O)[2H].Cl
InChI
InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i1D,2D,5D;
InChIKey
CTENFNNZBMHDDG-GONYBWEFSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dihydroxyphenyl-D3)ethylamine hcl
CAS: 53587-30-7
CID: 11993857
Formula: C8H12ClNO2
MW: 192.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.66
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.0744866
Monoisotopic Mass192.0744866
Topological Polar Surface Area66.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity119
Isotope Atom Count3
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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