| CAS Number | 1351651-87-0 |
| Catalog Number | AG01AQV9 |
| Chemical Name | N-(3,4-Dimethoxyphenyl)guanidine metanesulfonate |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)guanidine;methanesulfonic acid |
| InChI | InChI=1S/C9H13N3O2.CH4O3S/c1-13-7-4-3-6(12-9(10)11)5-8(7)14-2;1-5(2,3)4/h3-5H,1-2H3,(H4,10,11,12);1H3,(H,2,3,4) |
| InChI Key | YRZONNQCOJAYMY-UHFFFAOYSA-N |
| MDL Number | MFCD16661115 |
| Molecular Formula | C10H17N3O5S |
| Molecular Weight | 291.3241 |
| SMILES | COC1=C(OC)C=C(NC(N)=N)C=C1.CS(O)(=O)=O |
| Synonyms | N-(3,4-dimethoxyphenyl)guanidine metanesulfonate,
N-(3,4-DIMETHOXYPHENYL)GUANIDINE METHANESULFONATE,
1351651-87-0,
57004-61-2,
AKOS026677087,
MCULE-9329247097,
EN300-237474,
F2158-0391,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.322g/mol |
| Monoisotopic Mass | 291.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number