| CAS Number | 1177292-01-1 |
| Catalog Number | AG00HE2W(AGN-PC-0WRACD) |
| Chemical Name | 2-Amino-2-(4-isopropoxyphenyl)ethanol oxalate |
| IUPAC Name | 2-amino-2-(4-propan-2-yloxyphenyl)ethanol;oxalic acid |
| InChI | InChI=1S/C11H17NO2.C2H2O4/c1-8(2)14-10-5-3-9(4-6-10)11(12)7-13;3-1(4)2(5)6/h3-6,8,11,13H,7,12H2,1-2H3;(H,3,4)(H,5,6) |
| InChI Key | AUKPMFIDAABLPI-UHFFFAOYSA-N |
| MDL Number | MFCD08277198 |
| Molecular Formula | C13H19NO6 |
| Molecular Weight | 285.2931 |
| SMILES | OC(=O)C(=O)O.OCC(c1ccc(cc1)OC(C)C)N |
| Synonyms | 2-AMINO-2-(4-ISOPROPOXYPHENYL)ETHANOL OXALATE,
1177292-01-1,
BAL-0312,
ZX-BK002209,
KM5031,
MFCD08277198,
AKOS005143834,
2-Amino-2-[4-(propan-2-yloxy)phenyl]ethanol (C2H2O4),
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.296g/mol |
| Monoisotopic Mass | 285.121g/mol |
| Rotatable Bond Count | 5 |
| 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