| CAS Number | 18773-03-0 |
| Catalog Number | AG00B6JR(AGN-PC-0QGROM) |
| Chemical Name | propane-1,3-diamine |
| IUPAC Name | propane-1,3-diamine;dihydrobromide |
| InChI | InChI=1S/C3H10N2.2BrH/c4-2-1-3-5;;/h1-5H2;2*1H |
| InChI Key | FSAFLEKOBQFCHY-UHFFFAOYSA-N |
| MDL Number | MFCD29089361 |
| Molecular Formula | C3H12Br2N2 |
| Molecular Weight | 235.9488 |
| SMILES | NCCCN.[H]Br.[H]Br |
| Synonyms | 1,3-Diaminopropane dihydrobromide,
18773-03-0,
1,3-propanediamine dihydrobromide,
SCHEMBL11439130,
Trimethylenediamine Dihydrobromide,
MFCD29089361,
Propane-1,3-diammonium bromide, >=98%,
D5090,
|
| Complexity | 12.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.951g/mol |
| Monoisotopic Mass | 233.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number