| CAS Number | 58952-80-0 |
| Catalog Number | AG00F271(AGN-PC-0SR03M) |
| Chemical Name | N-[(2R)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide |
| IUPAC Name | N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide |
| 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 |
| InChI Key | OSJFSDYUAXAPLF-NSHDSACASA-N |
| MDL Number | MFCD01670865 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | [C@@H](CN(C(C)=O)C)(O)C1=CC(O)=CC=C1 |
| Synonyms | N-Acetylphenylephrine,
BRN 2734150,
58952-80-0,
(R)-N-Acetyl Phenylephrine,
(R)-N-(2-Hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylacetamide,
Acetamide, N-(2-hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methyl-, (R)-,
N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide,
AC1MICEB,
DTXSID40207692,
ZINC33824221,
LS-9702,
N-(m,|A-Dihydroxyphenethyl)-N-methylacetamide,
(?)-N-[(R)-3,beta-Dihydroxyphenethyl]-N-methylacetamide,
N-[2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide,
C11-H15-N-O3,
CID3042015,
3-13-00-02237 (Beilstein Handbook Reference),
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number