| CAS Number | 1549084-74-3 |
| Catalog Number | AG01B7RR |
| Chemical Name | [(2-bromo-4-methylphenyl)methyl][(oxolan-2-yl)methyl]amine |
| IUPAC Name | N-[(2-bromo-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine |
| InChI | InChI=1S/C13H18BrNO/c1-10-4-5-11(13(14)7-10)8-15-9-12-3-2-6-16-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3 |
| InChI Key | IZYAYNHASGGCAC-UHFFFAOYSA-N |
| MDL Number | MFCD24229502 |
| Molecular Formula | C13H18BrNO |
| Molecular Weight | 284.1921 |
| SMILES | CC1=CC(Br)=C(CNCC2OCCC2)C=C1 |
| Synonyms | [(2-bromo-4-methylphenyl)methyl](oxolan-2-ylmethyl)amine,
1549084-74-3,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.197g/mol |
| Monoisotopic Mass | 283.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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