| CAS Number | 54779-56-5 |
| Catalog Number | AG01C1NB |
| Chemical Name | 3-(2-Aminopropyl)phenol hydrochloride |
| IUPAC Name | 3-(2-aminopropyl)phenol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-7(10)5-8-3-2-4-9(11)6-8;/h2-4,6-7,11H,5,10H2,1H3;1H |
| InChI Key | PVIAWJZKJCBTTA-UHFFFAOYSA-N |
| MDL Number | MFCD29047372 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | OC1=CC=CC(CC(N)C)=C1.[H]Cl |
| Synonyms | 3-(2-aminopropyl)phenol hydrochloride,
54779-56-5,
UNII-OV7J66ADEM,
OV7J66ADEM,
SCHEMBL2903935,
Gepefrine hydrochloride, (+/-)-,
(+/-)-3-Hydroxyamphetamine hydrochloride,
Phenol, 3-(2-aminopropyl)-, hydrochloride,
Phenol, 3-(2-aminopropyl)-, hydrochloride (1:1),
Phenol, 3-(2-aminopropyl)-, hydrochloride, (+/-)-,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number