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Hordenine-d6

CAT: 0572-TRC-H669602-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H669602-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346598-66-0
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N(CCc1ccc(O)cc1)C([2H])([2H])[2H]
Molecular Formula
C10H9D6NO
Molecular Weight
171.27
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hordenine-d6
CAS Number1346598-66-0
PubChem CID71748771
IUPAC Name4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol
Molecular FormulaC10H15NO
Molecular Weight171.27
XLogP2.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity117
SMILES
[2H]C([2H])([2H])N(CCC1=CC=C(C=C1)O)C([2H])([2H])[2H]
InChI
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3/i1D3,2D3
InChIKey
KUBCEEMXQZUPDQ-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Hordenine-d6
CAS: 1346598-66-0
CID: 71748771
Formula: C10H15NO
MW: 171.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.27
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass171.153024578
Monoisotopic Mass171.153024578
Topological Polar Surface Area23.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity117
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-N0113S-01Hordenine-d6
HY-N0113BSHordenine-d6 (hydrochloride)
CS-B-00290Hordenine-d6 HCl
300426Hordenine

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