| CAS Number | 1383133-17-2 |
| Catalog Number | AG00HV96(AGN-PC-0WR2H3) |
| Chemical Name | DIMETHYL 3-(AMINOMETHYL)BENZYLPHOSPHONATE OXALATE |
| IUPAC Name | [3-(dimethoxyphosphorylmethyl)phenyl]methanamine;oxalic acid |
| InChI | InChI=1S/C10H16NO3P.C2H2O4/c1-13-15(12,14-2)8-10-5-3-4-9(6-10)7-11;3-1(4)2(5)6/h3-6H,7-8,11H2,1-2H3;(H,3,4)(H,5,6) |
| InChI Key | SCDIKKITTSVGIW-UHFFFAOYSA-N |
| MDL Number | MFCD22416318 |
| Molecular Formula | C12H18NO7P |
| Molecular Weight | 319.2476 |
| SMILES | COP(=O)(Cc1cccc(c1)CN)OC.C(=O)(C(=O)O)O |
| Synonyms | Dimethyl 3-(aminomethyl)benzylphosphonate oxalate,
1383133-17-2,
MFCD22416318,
AKOS027251691,
Dimethyl 3-(aminomethyl)benzylphosphonateoxalate,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.25g/mol |
| Monoisotopic Mass | 319.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number