| CAS Number | 1052428-61-1 |
| Catalog Number | AG01BDSB |
| Chemical Name | 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride |
| IUPAC Name | 2-[(3-bromophenyl)methylamino]ethanol;hydrochloride |
| InChI | InChI=1S/C9H12BrNO.ClH/c10-9-3-1-2-8(6-9)7-11-4-5-12;/h1-3,6,11-12H,4-5,7H2;1H |
| InChI Key | VKKKSWADFKXSBB-UHFFFAOYSA-N |
| MDL Number | MFCD04152994 |
| Molecular Formula | C9H13BrClNO |
| Molecular Weight | 266.5626 |
| SMILES | Cl.OCCNCC1=CC(Br)=CC=C1 |
| Synonyms | 2-{[(3-bromophenyl)methyl]amino}ethan-1-ol hydrochloride,
1052428-61-1,
AC1MGFZQ,
MLS000675646,
2-[(3-bromophenyl)methylamino]ethanol Hydrochloride,
CHEMBL1731277,
MCULE-3098608924,
SMR000294877,
2-[(3-bromobenzyl)amino]ethanol hydrochloride,
SR-01000281593,
SR-01000281593-1,
CID2960455,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.563g/mol |
| Monoisotopic Mass | 264.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number