| CAS Number | 1803600-91-0 |
| Catalog Number | AG01B7NB |
| Chemical Name | 3-amino-N-(2-aminoethyl)-3-phenylpropanamide dihydrochloride |
| IUPAC Name | 3-amino-N-(2-aminoethyl)-3-phenylpropanamide;dihydrochloride |
| InChI | InChI=1S/C11H17N3O.2ClH/c12-6-7-14-11(15)8-10(13)9-4-2-1-3-5-9;;/h1-5,10H,6-8,12-13H2,(H,14,15);2*1H |
| InChI Key | KVBJTUDSDWIKAC-UHFFFAOYSA-N |
| MDL Number | MFCD28246292 |
| Molecular Formula | C11H19Cl2N3O |
| Molecular Weight | 280.1941 |
| SMILES | Cl.Cl.NCCNC(CC(C1=CC=CC=C1)N)=O |
| Synonyms | 3-amino-N-(2-aminoethyl)-3-phenylpropanamide dihydrochloride,
1803600-91-0,
AKOS026787046,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.193g/mol |
| Monoisotopic Mass | 279.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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