| CAS Number | 54738-28-2 |
| Catalog Number | AG01BUPC |
| Chemical Name | 4-(3-aminopropyl)-2,6-dimethoxyphenol hydrochloride |
| IUPAC Name | 4-(3-aminopropyl)-2,6-dimethoxyphenol;hydrochloride |
| InChI | InChI=1S/C11H17NO3.ClH/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13;/h6-7,13H,3-5,12H2,1-2H3;1H |
| InChI Key | XAAYFDLCCUBDIY-UHFFFAOYSA-N |
| MDL Number | MFCD30345368 |
| Molecular Formula | C11H18ClNO3 |
| Molecular Weight | 247.7185 |
| SMILES | Cl.COC1=C(O)C(OC)=CC(CCCN)=C1 |
| Synonyms | 4-(3-aminopropyl)-2,6-dimethoxyphenol hydrochloride,
54738-28-2,
AKOS033960597,
Z2630874817,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.719g/mol |
| Monoisotopic Mass | 247.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number