| CAS Number | 1170238-97-7 |
| Catalog Number | AG00HDRS |
| Chemical Name | 2-Hydroxy-2-(2-methylphenyl)ethylamine oxalate |
| IUPAC Name | 2-amino-1-(2-methylphenyl)ethanol;oxalic acid |
| InChI | InChI=1S/C9H13NO.C2H2O4/c1-7-4-2-3-5-8(7)9(11)6-10;3-1(4)2(5)6/h2-5,9,11H,6,10H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | UGJZLXGXDCDGQL-UHFFFAOYSA-N |
| MDL Number | MFCD04117772 |
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.2405 |
| SMILES | OC(=O)C(O)=O.CC1=C(C=CC=C1)C(O)CN |
| Synonyms | 2-Hydroxy-2-(2-methylphenyl)ethylamine oxalate,
1170238-97-7,
2-Amino-1-(o-tolyl)ethanol oxalate,
2-Amino-1-(2-methylphenyl)ethan-1-ol oxalate,
C9H13NO.C2H2O4,
BEA-S03-4,
CTK7I3923,
DTXSID10590048,
ZX-AT000827,
5054AH,
AR2909,
MFCD04117772,
AKOS027253687,
OR12965,
AS-45477,
2-Hydroxy-2-(2-methylphenyl)ethylamineoxalate,
X-1845,
2-amino-1-(2-methylphenyl)ethanol; oxalic acid,
Oxalic acid--2-amino-1-(2-methylphenyl)ethan-1-ol (1/1),
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.243g/mol |
| Monoisotopic Mass | 241.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number