| CAS Number | 1269151-20-3 |
| Catalog Number | AG01AGVP |
| Chemical Name | 3-(3-bromophenyl)propan-1-amine hydrochloride |
| IUPAC Name | 3-(3-bromophenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12BrN.ClH/c10-9-5-1-3-8(7-9)4-2-6-11;/h1,3,5,7H,2,4,6,11H2;1H |
| InChI Key | VMQSDPRBWMSZAK-UHFFFAOYSA-N |
| MDL Number | MFCD09260975 |
| Molecular Formula | C9H13BrClN |
| Molecular Weight | 250.5632 |
| SMILES | Cl.NCCCC1=CC(Br)=CC=C1 |
| Synonyms | 3-(3-bromophenyl)propan-1-amine hydrochloride,
1269151-20-3,
AC1Q3DBE,
SCHEMBL5234157,
MCULE-8746168543,
NE48509,
EN300-73002,
Z1266823414,
|
| 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 | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number