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Choline-1,1,2,2-d4 Bromide

CAT: 0572-TRC-C211051-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C211051-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
285979-69-3
Synonyms
Ethan-1,1,2,2-d4-aminium, 2-hydroxy-N,N,N-trimethyl-, bromide (9CI)
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Br-].OCC[N+](C)(C)C
Molecular Formula
C5 H10 D4 N O . Br
Molecular Weight
188.09941
InChI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
Additionnal Information
IUPAC name: trimethyl-(1,1,2,2-tetradeuterio-2-hydroxy-ethyl)ammonium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Hydroxy-N,N,N-trimethyl(~2~H_4_)ethan-1-aminium bromide
CAS Number285979-69-3
PubChem CID16217619
IUPAC Nametrimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium bromide
Molecular FormulaC5H14BrNO
Molecular Weight188.10
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
[2H]C([2H])(C([2H])([2H])O)[N+](C)(C)C.[Br-]
InChI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
InChIKey
JJCWKVUUIFLXNZ-HGFPCDIYSA-M
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-N,N,N-trimethyl(~2~H_4_)ethan-1-aminium bromide
CAS: 285979-69-3
CID: 16217619
Formula: C5H14BrNO
MW: 188.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.10
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass187.05098
Monoisotopic Mass187.05098
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
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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HY-W127656S-01Choline-1,1,2,2-d4 (bromide)
sc-300370Choline-1,1,2,2-d4 bromide
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HY-Y0400S2-Bromoethylammonium-d4 bromide
HY-111613S1Pinaverium bromide-d4-1
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