| CAS Number | 1072906-05-8 |
| Catalog Number | AG01DLOP |
| Chemical Name | 4-Bromo-2-(2-(dimethylamino)ethoxy)aniline |
| IUPAC Name | 4-bromo-2-[2-(dimethylamino)ethoxy]aniline |
| InChI | InChI=1S/C10H15BrN2O/c1-13(2)5-6-14-10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3 |
| InChI Key | OIEONBBPXVOYSQ-UHFFFAOYSA-N |
| MDL Number | MFCD11520819 |
| Molecular Formula | C10H15BrN2O |
| Molecular Weight | 259.1429 |
| SMILES | CN(C)CCOc1cc(Br)ccc1N |
| Synonyms | 4-bromo-2-(2-(dimethylamino)ethoxy)aniline,
1072906-05-8,
SCHEMBL1988447,
2-(2-(DIMETHYLAMINO)ETHOXY)-4-BROMOBENZENAMINE,
OIEONBBPXVOYSQ-UHFFFAOYSA-N,
MFCD11520819,
ZINC83738930,
AKOS014677456,
SC-61212,
4-bromo-2-(2-dimethylamino-ethoxy)aniline,
Benzenamine, 4-bromo-2-[2-(dimethylamino)ethoxy]-,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.147g/mol |
| Monoisotopic Mass | 258.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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