| CAS Number | 912906-92-4 |
| Catalog Number | AG006OWA(AGN-PC-0WB3S5) |
| Chemical Name | 1-(4-Bromophenyl)-N-methylpropan-1-amine |
| IUPAC Name | 1-(4-bromophenyl)-N-methylpropan-1-amine |
| InChI | InChI=1S/C10H14BrN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7,10,12H,3H2,1-2H3 |
| InChI Key | WGEDWIJMOODFIG-UHFFFAOYSA-N |
| MDL Number | MFCD08548452 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | BrC1=CC=C(C=C1)C(CC)NC |
| Synonyms | 1-(4-BROMOPHENYL)-N-METHYLPROPAN-1-AMINE,
912906-92-4,
[1-(4-bromophenyl)propyl](methyl)amine,
[(4-bromophenyl)propyl]methylamine,
SCHEMBL8284256,
CTK5G9281,
DTXSID00586096,
MFCD08548452,
SBB043957,
AKOS000145278,
AKOS016037545,
MCULE-9072694465,
1-(4-Bromophenyl)-N-methyl-1-propanamine,
ST50766941,
Y-3937,
Benzenemethanamine, 4-bromo-alpha-ethyl-N-methyl-,
F3317-0004,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number