| CAS Number | 14502-45-5 |
| Catalog Number | AG001KHT(AGN-PC-0BS8AB) |
| Chemical Name | 12-Bromo-1-aminododecane, Hydrobromide |
| IUPAC Name | 12-bromododecan-1-amine;hydrobromide |
| InChI | InChI=1S/C12H26BrN.BrH/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;/h1-12,14H2;1H |
| InChI Key | IBCCPATXXWXOQX-UHFFFAOYSA-N |
| MDL Number | MFCD03788826 |
| Molecular Formula | C12H27Br2N |
| Molecular Weight | 345.1575 |
| SMILES | Br.NCCCCCCCCCCCCBr |
| Synonyms | 12-Bromo-1-aminododecane, Hydrobromide,
14502-45-5,
CTK4C4320,
DTXSID40721641,
12-Bromo-1-dodecanamine Hydrobromide,
12-Bromo-1-aminododecane,hydrobromide,
AKOS030239658,
FT-0663635,
12-BROMO-1-AMINODODECANE HYDROBROMIDE,
1-Dodecanamine, 12-bromo-, hydrobromide (1:1),
12-Bromododecan-1-amine--hydrogen bromide (1/1),
J-008039,
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| Complexity | 96.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.163g/mol |
| Monoisotopic Mass | 343.051g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number