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Dopamine-d4 Hydrochloride

CAT: 0572-TRC-D533782-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D533782-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
203633-19-6
Hazard Statement
Suspected of damaging fertility or the unborn child; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])(N)C([2H])([2H])c1ccc(O)c(O)c1
Molecular Formula
C8 2H4 H7 N O2 . Cl H
Molecular Weight
193.66
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/i3D2,4D2;
Additionnal Information
IUPAC name: 4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dopamine-d4 hydrochloride
CAS Number203633-19-6
PubChem CID45039112
IUPAC Name4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochloride
Molecular FormulaC8H12ClNO2
Molecular Weight193.66
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity119
SMILES
[2H]C([2H])(C1=CC(=C(C=C1)O)O)C([2H])([2H])N.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/i3D2,4D2;
InChIKey
CTENFNNZBMHDDG-URZLSVTISA-N
Chemical Structure
2D Structure
2D structure of Dopamine-d4 hydrochloride
CAS: 203633-19-6
CID: 45039112
Formula: C8H12ClNO2
MW: 193.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.66
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.0807633
Monoisotopic Mass193.0807633
Topological Polar Surface Area66.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity119
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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