| CAS Number | 1864060-71-8 |
| Catalog Number | AG01AP03 |
| Chemical Name | [3,5-bis(aminomethyl)phenyl]methanamine trihydrobromide |
| IUPAC Name | [3,5-bis(aminomethyl)phenyl]methanamine;trihydrobromide |
| InChI | InChI=1S/C9H15N3.3BrH/c10-4-7-1-8(5-11)3-9(2-7)6-12;;;/h1-3H,4-6,10-12H2;3*1H |
| InChI Key | OABBSKICVFIANO-UHFFFAOYSA-N |
| MDL Number | MFCD29034346 |
| Molecular Formula | C9H18Br3N3 |
| Molecular Weight | 407.9713 |
| SMILES | Br.Br.Br.NCC1=CC(CN)=CC(CN)=C1 |
| Synonyms | 1864060-71-8,
[3,5-bis(aminomethyl)phenyl]methanamine trihydrobromide,
Z2235409284,
|
| Complexity | 91.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.976g/mol |
| Monoisotopic Mass | 404.905g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number