| CAS Number | 1955530-44-5 |
| Catalog Number | AG01B3XV |
| Chemical Name | 1-(4-bromophenyl)cyclohexan-1-amine hydrochloride |
| IUPAC Name | 1-(4-bromophenyl)cyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H16BrN.ClH/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12;/h4-7H,1-3,8-9,14H2;1H |
| InChI Key | XEARXANASIJKSS-UHFFFAOYSA-N |
| MDL Number | MFCD29991743 |
| Molecular Formula | C12H17BrClN |
| Molecular Weight | 290.6271 |
| SMILES | Cl.NC1(C2=CC=C(Br)C=C2)CCCCC1 |
| Synonyms | 1-(4-bromophenyl)cyclohexan-1-amine hydrochloride,
1955530-44-5,
Z2515238986,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.629g/mol |
| Monoisotopic Mass | 289.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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