| CAS Number | 1400644-86-1 |
| Catalog Number | AG009X1Q(AGN-PC-0WACKX) |
| Chemical Name | Benzyl[2-(3-bromophenyl)propan-2-yl]amine HCl |
| IUPAC Name | N-benzyl-2-(3-bromophenyl)propan-2-amine;hydrochloride |
| InChI | InChI=1S/C16H18BrN.ClH/c1-16(2,14-9-6-10-15(17)11-14)18-12-13-7-4-3-5-8-13;/h3-11,18H,12H2,1-2H3;1H |
| InChI Key | ATYLHONHEKLBPE-UHFFFAOYSA-N |
| MDL Number | MFCD22421539 |
| Molecular Formula | C16H19BrClN |
| Molecular Weight | 340.6858 |
| SMILES | Brc1cccc(c1)C(NCc1ccccc1)(C)C.Cl |
| Synonyms | BENZYL[2-(3-BROMOPHENYL)PROPAN-2-YL]AMINE HCL,
1400644-86-1,
C16H19BrClN,
KM4041,
V3012,
ATYLHONHEKLBPE-UHFFFAOYSA-N,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.689g/mol |
| Monoisotopic Mass | 339.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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