| CAS Number | 583825-30-3 |
| Catalog Number | AG00VTH6(AGN-PC-00ACDK) |
| Chemical Name | 4-(3-Aminopropyl)phenol hydrobromide |
| IUPAC Name | 4-(3-aminopropyl)phenol;hydrobromide |
| InChI | InChI=1S/C9H13NO.BrH/c10-7-1-2-8-3-5-9(11)6-4-8;/h3-6,11H,1-2,7,10H2;1H |
| InChI Key | WVQGQGNVRPUYBC-UHFFFAOYSA-N |
| MDL Number | MFCD19380075 |
| Molecular Formula | C9H14BrNO |
| Molecular Weight | 232.1176 |
| SMILES | OC1=CC=C(CCCN)C=C1.[H]Br |
| Synonyms | 4-(3-aminopropyl)phenol Hydrobromide,
583825-30-3,
SCHEMBL4856014,
WVQGQGNVRPUYBC-UHFFFAOYSA-N,
AKOS008110397,
MCULE-8194739134,
NE58941,
3-(4-hydroxyphenyl)propylamine hydrobromide,
EN300-80548,
Z1270210797,
CID11499608,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.121g/mol |
| Monoisotopic Mass | 231.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number