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L-(-)-Epinephrine-d3

CAT: 0572-TRC-E588583-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E588583-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217733-17-9
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])NC[C@H](O)c1ccc(O)c(O)c1
Molecular Formula
C9H10D3NO3
Molecular Weight
186.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

L-(-)-Epinephrine-d3
CAS Number1217733-17-9
PubChem CID49849560
IUPAC Name4-[(1R)-1-hydroxy-2-(trideuteriomethylamino)ethyl]benzene-1,2-diol
Molecular FormulaC9H13NO3
Molecular Weight186.22
XLogP-1.4
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
[2H]C([2H])([2H])NC[C@@H](C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1/i1D3
InChIKey
UCTWMZQNUQWSLP-XYFUXNRQSA-N
Chemical Structure
2D Structure
2D structure of L-(-)-Epinephrine-d3
CAS: 1217733-17-9
CID: 49849560
Formula: C9H13NO3
MW: 186.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.22
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.10837351
Monoisotopic Mass186.10837351
Topological Polar Surface Area72.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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