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(R)-N-Acetyl Phenylephrine

CAT: 0572-TRC-A186985-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A186985-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58952-80-0
Synonyms
Acetamide, N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-; Acetamide, N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-, (R)- (9CI); N-Acetylphenylephrine
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CN(C[C@H](O)c1cccc(O)c1)C(=O)C
Molecular Formula
C11 H15 N O3
Molecular Weight
209.24
InChI
InChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1
Additionnal Information
IUPAC name: N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Acetylphenylephrine
CAS Number58952-80-0
PubChem CID3042015
IUPAC NameN-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
Molecular FormulaC11H15NO3
Molecular Weight209.24
XLogP0.2
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
CC(=O)N(C)C[C@@H](C1=CC(=CC=C1)O)O
InChI
InChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1
InChIKey
OSJFSDYUAXAPLF-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N-Acetylphenylephrine
CAS: 58952-80-0
CID: 3042015
Formula: C11H15NO3
MW: 209.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.24
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass209.10519334
Monoisotopic Mass209.10519334
Topological Polar Surface Area60.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
Isotope Atom Count0
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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