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N-(2-Hydroxyethyl) Pseudoephedrine-d3

CAT: 0572-TRC-H825277-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825277-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330277-60-5
Synonyms
(αS)-α-[(1S)-1-[(2-Hydroxyethyl)methylamino]ethyl]benzenemethanol-d3;
Hazard Statement
Harmful if swallowed; UN number: UN1759; Packing Group: II
Smiles
C[C@H](N(C([2H])([2H])[2H])CCO)[C@H](O)C1=CC=CC=C1
Molecular Formula
C12H16D3NO2
Molecular Weight
212.3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-(2-Hydroxyethyl) Pseudoephedrine-d3
CAS Number1330277-60-5
PubChem CID169441602
IUPAC Name(1R,2S)-2-[2-hydroxyethyl(trideuteriomethyl)amino]-1-phenylpropan-1-ol
Molecular FormulaC12H19NO2
Molecular Weight212.30
XLogP1
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
[2H]C([2H])([2H])N(CCO)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3/t10-,12-/m0/s1/i2D3
InChIKey
DZUDAROQGILUTD-CBBHXFRQSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxyethyl) Pseudoephedrine-d3
CAS: 1330277-60-5
CID: 169441602
Formula: C12H19NO2
MW: 212.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.30
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass212.160409087
Monoisotopic Mass212.160409087
Topological Polar Surface Area43.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity169
Isotope Atom Count3
Defined Atom Stereocenter Count2
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

CatalogName
013435N- (2-Hydroxyethyl) Pseudoephedrine-d3 discontinued
279405-01N- (2-Hydroxyethyl) pseudoephedrine discontinued
CS-T-94359N-Acetyl Pseudoephedrine-d3
CS-O-40895N-Nitroso-Pseudoephedrine-d3 (Mixture of isomers)
CS-O-63735N-Nitroso-Pseudoephedrine-d3 solution in methanol
KLA97974-01(1R,2R) - (-) -Pseudoephedrine-d3 hydrochloride (N-methyl-d3)
sc-212063N-2-Hydroxyethyl-N- (methyl-d3) -p-toluenesulfonamide
CS-T-47366N-Acetyl- (+) -Pseudoephedrine
CS-O-39353N Formyl pseudoephedrine
CS-EO-01204N-Nitroso-Pseudoephedrine

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