| CAS Number | 1609395-76-7 |
| Catalog Number | AG00J1WR(AGN-PC-0WRAMS) |
| Chemical Name | (4-bromo-3-methylphenyl)ethylamine hydrochloride |
| IUPAC Name | 4-bromo-N-ethyl-3-methylaniline;hydrochloride |
| InChI | InChI=1S/C9H12BrN.ClH/c1-3-11-8-4-5-9(10)7(2)6-8;/h4-6,11H,3H2,1-2H3;1H |
| InChI Key | LUAZEFZNRSJECA-UHFFFAOYSA-N |
| MDL Number | MFCD06800490 |
| Molecular Formula | C9H13BrClN |
| Molecular Weight | 250.5632 |
| SMILES | C1(C)=CC(=CC=C1Br)NCC.Cl |
| Synonyms | (4-BROMO-3-METHYLPHENYL)ETHYLAMINE HYDROCHLORIDE,
1609395-76-7,
ZX-CM006790,
MFCD26959422,
4029408-25G,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.564g/mol |
| Monoisotopic Mass | 248.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number