| CAS Number | 1247746-11-7 |
| Catalog Number | AG01AJGL |
| Chemical Name | 4-bromo-N-(2-butoxyethyl)aniline |
| IUPAC Name | 4-bromo-N-(2-butoxyethyl)aniline |
| InChI | InChI=1S/C12H18BrNO/c1-2-3-9-15-10-8-14-12-6-4-11(13)5-7-12/h4-7,14H,2-3,8-10H2,1H3 |
| InChI Key | QYTYZIKSAWLCEZ-UHFFFAOYSA-N |
| MDL Number | MFCD14677252 |
| Molecular Formula | C12H18BrNO |
| Molecular Weight | 272.1814 |
| SMILES | CCCCOCCNC1=CC=C(Br)C=C1 |
| Synonyms | 4-bromo-N-(2-butoxyethyl)aniline,
1247746-11-7,
ZINC49261939,
AKOS010743959,
MCULE-7339642932,
NE38389,
EN300-80675,
Z1395065307,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.186g/mol |
| Monoisotopic Mass | 271.057g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number