| CAS Number | 1384428-70-9 |
| Catalog Number | AG019YDX |
| Chemical Name | bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide), sulfuric acid |
| IUPAC Name | 4-(4-methoxyphenyl)piperazine-1-carboximidamide;sulfuric acid |
| InChI | InChI=1S/2C12H18N4O.H2O4S/c2*1-17-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14;1-5(2,3)4/h2*2-5H,6-9H2,1H3,(H3,13,14);(H2,1,2,3,4) |
| InChI Key | KHIFXNDSBFWOIR-UHFFFAOYSA-N |
| MDL Number | MFCD22056406 |
| Molecular Formula | C24H38N8O6S |
| Molecular Weight | 566.6735 |
| SMILES | COC1=CC=C(N2CCN(C(N)=N)CC2)C=C1.COC1=CC=C(N2CCN(C(N)=N)CC2)C=C1.OS(O)(=O)=O |
| Synonyms | bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide); sulfuric acid,
1384428-70-9,
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide), sulfuric acid,
NE32013,
EN300-101131,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 566.264g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 566.678g/mol |
| Monoisotopic Mass | 566.264g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 214A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number