| CAS Number | 1258649-90-9 |
| Catalog Number | AG01AARO |
| Chemical Name | 3-[(2-methoxyphenyl)sulfanyl]-2-methylpropan-1-amine hydrochloride |
| IUPAC Name | 3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17NOS.ClH/c1-9(7-12)8-14-11-6-4-3-5-10(11)13-2;/h3-6,9H,7-8,12H2,1-2H3;1H |
| InChI Key | UNIGRHXMTSKBRS-UHFFFAOYSA-N |
| MDL Number | MFCD17480401 |
| Molecular Formula | C11H18ClNOS |
| Molecular Weight | 247.7847 |
| SMILES | Cl.COC1=C(SCC(CN)C)C=CC=C1 |
| Synonyms | 1-[(3-amino-2-methylpropyl)sulfanyl]-2-methoxybenzene hydrochloride,
1258649-90-9,
3-[(2-methoxyphenyl)sulfanyl]-2-methylpropan-1-amine hydrochloride,
AC1Q3C11,
AKOS008146262,
MCULE-7382924609,
NE16214,
EN300-69385,
Z1263714109,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.781g/mol |
| Monoisotopic Mass | 247.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number