| CAS Number | 1247147-26-7 |
| Catalog Number | AG01AJGK |
| Chemical Name | 3-bromo-N-(2-butoxyethyl)aniline |
| IUPAC Name | 3-bromo-N-(2-butoxyethyl)aniline |
| InChI | InChI=1S/C12H18BrNO/c1-2-3-8-15-9-7-14-12-6-4-5-11(13)10-12/h4-6,10,14H,2-3,7-9H2,1H3 |
| InChI Key | ZGWNBYQDKMFESH-UHFFFAOYSA-N |
| MDL Number | MFCD14677253 |
| Molecular Formula | C12H18BrNO |
| Molecular Weight | 272.1814 |
| SMILES | CCCCOCCNC1=CC(Br)=CC=C1 |
| Synonyms | 3-bromo-N-(2-butoxyethyl)aniline,
1247147-26-7,
ZINC49261941,
AKOS010743960,
MCULE-8312426230,
NE35459,
EN300-80673,
Z1695783741,
|
| Complexity | 155 |
| 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