| CAS Number | 1049790-42-2 |
| Catalog Number | AG00J3VH |
| Chemical Name | 3-[(3-bromobenzyl)amino]-1-propanol hydrochloride |
| IUPAC Name | 3-[(3-bromophenyl)methylamino]propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H14BrNO.ClH/c11-10-4-1-3-9(7-10)8-12-5-2-6-13;/h1,3-4,7,12-13H,2,5-6,8H2;1H |
| InChI Key | YXSXIPPRTVYVSK-UHFFFAOYSA-N |
| MDL Number | MFCD04153045 |
| Molecular Formula | C10H15BrClNO |
| Molecular Weight | 280.5892 |
| SMILES | OCCCNCc1cccc(c1)Br.Cl |
| Synonyms | 3-((3-Bromobenzyl)amino)propan-1-ol hydrochloride,
3-[(3-bromobenzyl)amino]-1-propanol hydrochloride,
1049790-42-2,
3-[(3-bromobenzyl)amino]propan-1-ol hydrochloride,
AC1MFU0M,
3-[(3-bromophenyl)methylamino]propan-1-ol Hydrochloride,
MFCD04153045,
MCULE-1655104453,
SR-01000272291,
SR-01000272291-1,
CID2950706,
721958-92-5,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.59g/mol |
| Monoisotopic Mass | 279.003g/mol |
| Rotatable Bond Count | 5 |
| 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