| CAS Number | 1310544-60-5 |
| Catalog Number | AG009WPZ(AGN-PC-0WNQNB) |
| Chemical Name | N,N'-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate |
| IUPAC Name | N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;dihydrate;tetrahydrochloride |
| InChI | InChI=1S/C14H18N4.4ClH.2H2O/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14;;;;;;/h1-8,15-16H,9-12H2;4*1H;2*1H2 |
| InChI Key | OQNCOXYRPPPEIW-UHFFFAOYSA-N |
| MDL Number | MFCD28384133 |
| Molecular Formula | C14H26Cl4N4O2 |
| Molecular Weight | 424.1938 |
| SMILES | C1=CC=NC(=C1)CNCCNCC2=CC=CC=N2.Cl.Cl.Cl.Cl.O.O |
| Synonyms | 1310544-60-5,
N,N'-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate,
MFCD28384133,
AKOS026671331,
N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;dihydrate;tetrahydrochloride,
N,N-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.188g/mol |
| Monoisotopic Mass | 422.081g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number