| CAS Number | 90389-53-0 |
| Catalog Number | AG00J1RL(AGN-PC-01EK97) |
| Chemical Name | N-(3-Bromobenzyl)ethanamine hydrochloride |
| IUPAC Name | N-[(3-bromophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12BrN.ClH/c1-2-11-7-8-4-3-5-9(10)6-8;/h3-6,11H,2,7H2,1H3;1H |
| InChI Key | JYOGQPMOFRUWAW-UHFFFAOYSA-N |
| MDL Number | MFCD07106904 |
| Molecular Formula | C9H13BrClN |
| Molecular Weight | 250.5632 |
| SMILES | C1C(=CC=CC=1Br)CNCC.Cl |
| Synonyms | 90389-53-0,
N-(3-Bromobenzyl)ethanamine hydrochloride,
CHEMBL276634,
ZX-CM005943,
MFCD07106904,
AKOS027426955,
MCULE-4664241869,
[(3-Bromophenyl)Methyl](Ethyl)Amine HCl,
3-bromo-n-ethylbenzenemethanamine hydrochloride,
[(3-Bromophenyl)Methyl](Ethyl)Amine Hydrochloride,
Z1138763375,
N- ETHANEAMINEHYDROCHLORIDE,
90389-91-6,
|
| Complexity | 106 |
| 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 | 3 |
| 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