| CAS Number | 89690-09-5 |
| Catalog Number | AG0042XA(AGN-PC-0KKY3H) |
| Chemical Name | N-Methylbutane-1,4-diamine, Dihydrochloride |
| IUPAC Name | 4-azaniumylbutyl(methyl)azanium;dichloride |
| InChI | InChI=1S/C5H14N2.2ClH/c1-7-5-3-2-4-6;;/h7H,2-6H2,1H3;2*1H |
| InChI Key | XZQGIPYFXROFMB-UHFFFAOYSA-N |
| MDL Number | MFCD00053031 |
| Molecular Formula | C5H16Cl2N2 |
| Molecular Weight | 175.0999 |
| SMILES | C[NH2+]CCCC[NH3+].[Cl-].[Cl-] |
| Synonyms | N-Methylbutane-1,4-diamine, Dihydrochloride,
89690-09-5,
CTK8G1936,
AKOS030240196,
|
| Complexity | 29.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.097g/mol |
| Monoisotopic Mass | 174.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number