| CAS Number | 1171149-12-4 |
| Catalog Number | AG00HDT3 |
| Chemical Name | 2-Hydroxy-2-(2-methoxyphenyl)ethylamine oxalate |
| IUPAC Name | 2-amino-1-(2-methoxyphenyl)ethanol;oxalic acid |
| InChI | InChI=1S/C9H13NO2.C2H2O4/c1-12-9-5-3-2-4-7(9)8(11)6-10;3-1(4)2(5)6/h2-5,8,11H,6,10H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | BQKUTBDFHBVVJG-UHFFFAOYSA-N |
| MDL Number | MFCD04117771 |
| Molecular Formula | C11H15NO6 |
| Molecular Weight | 257.2399 |
| SMILES | OC(=O)C(O)=O.COC1=C(C=CC=C1)C(O)CN |
| Synonyms | 2-Hydroxy-2-(2-methoxyphenyl)ethylamine oxalate,
1171149-12-4,
2-Hydroxy-2-(2-methoxyphenyl)ethylamineoxalate,
BEA-S01-4,
CTK7I3924,
ZX-AT021500,
AR2903,
MFCD04117771,
AKOS027334943,
OR12966,
AS-45475,
X-1733,
2-amino-1-(2-methoxyphenyl)ethanol; oxalic acid,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.242g/mol |
| Monoisotopic Mass | 257.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number