| CAS Number | 89690-11-9 |
| Catalog Number | AG01FNIO(AGN-PC-0VPESJ) |
| Chemical Name | Xylemin Dihydrochloride |
| IUPAC Name | N'-propylbutane-1,4-diamine;dihydrochloride |
| InChI | InChI=1S/C7H18N2.2ClH/c1-2-6-9-7-4-3-5-8;;/h9H,2-8H2,1H3;2*1H |
| InChI Key | XPJVQOGXWBMFAR-UHFFFAOYSA-N |
| MDL Number | MFCD32062944 |
| Molecular Formula | C7H19ClN2 |
| Molecular Weight | 166.6922 |
| SMILES | CCCNCCCCN.Cl |
| Synonyms | N-Propyl-1,4-butanediamine Dihydrochloride,
89690-11-9,
|
| Complexity | 46.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.100354g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.15g/mol |
| Monoisotopic Mass | 202.100354g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number