| CAS Number | 1549736-97-1 |
| Catalog Number | AG01C04Y |
| Chemical Name | [1-(3-bromophenyl)ethyl](ethoxy)amine |
| IUPAC Name | 1-(3-bromophenyl)-N-ethoxyethanamine |
| InChI | InChI=1S/C10H14BrNO/c1-3-13-12-8(2)9-5-4-6-10(11)7-9/h4-8,12H,3H2,1-2H3 |
| InChI Key | NVJHHSGLLVDZSG-UHFFFAOYSA-N |
| MDL Number | MFCD24085057 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | CCONC(C1=CC(Br)=CC=C1)C |
| Synonyms | [1-(3-bromophenyl)ethyl](ethoxy)amine,
1549736-97-1,
AKOS019901353,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/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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