| CAS Number | 258282-23-4 |
| Catalog Number | AG00BJRF(AGN-PC-078V4O) |
| Chemical Name | IEM 1925 dihydrobromide |
| IUPAC Name | N'-(1-phenylcyclohexyl)pentane-1,5-diamine;dihydrobromide |
| InChI | InChI=1S/C17H28N2.2BrH/c18-14-8-3-9-15-19-17(12-6-2-7-13-17)16-10-4-1-5-11-16;;/h1,4-5,10-11,19H,2-3,6-9,12-15,18H2;2*1H |
| InChI Key | ZCYUSVRXEKAQSL-UHFFFAOYSA-N |
| MDL Number | MFCD19690950 |
| Molecular Formula | C17H30Br2N2 |
| Molecular Weight | 422.2415 |
| SMILES | NCCCCCNC1(C2=CC=CC=C2)CCCCC1.[H]Br.[H]Br |
| Synonyms | IEM 1925 dihydrobromide,
258282-23-4,
CHEMBL528993,
SCHEMBL20501902,
AKOS024458029,
J-016143,
N-(1-Phenylcyclohexyl)-1,5-pentanediamine dihydrobromide,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.249g/mol |
| Monoisotopic Mass | 420.078g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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