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rac Phenylephrine-d3 Hydrochloride

CAT: 0572-TRC-P320637-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P320637-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2714485-34-2
Synonyms
(±)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol-d3 Hydrochloride, ; (±)-m-Hydroxy-α-[(methylamino)methyl]benzyl Alcohol-d3 Hydrochloride; (±)-Phenylephrine Hydrochloride-d3; 1-(3-Hydroxyphenyl)-2-methylaminoethanol-d3 Hydrochloride; DL-Phenylephrine-d3 Hydrochloride; NSC 14029-d3;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OC1=CC=CC(C(O)CNC([2H])([2H])[2H])=C1.Cl
Molecular Formula
C9H10D3NO2 . HCl
Molecular Weight
206.69
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/i1D3;
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(1-hydroxy-2-((2H3)methylamino)ethyl)phenol hydrochloride
CAS Number2714485-34-2
PubChem CID12303426
IUPAC Name3-[1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;hydrochloride
Molecular FormulaC9H14ClNO2
Molecular Weight206.68
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity130
SMILES
[2H]C([2H])([2H])NCC(C1=CC(=CC=C1)O)O.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/i1D3;
InChIKey
OCYSGIYOVXAGKQ-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-hydroxy-2-((2H3)methylamino)ethyl)phenol hydrochloride
CAS: 2714485-34-2
CID: 12303426
Formula: C9H14ClNO2
MW: 206.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.68
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass206.0901366
Monoisotopic Mass206.0901366
Topological Polar Surface Area52.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity130
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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