| CAS Number | 1185293-64-4 |
| Catalog Number | AG0099WN(AGN-PC-0WB7W0) |
| Chemical Name | 1-Methoxy-N-(4-(methylthio)benzyl)propan-2-amine hydrochloride |
| IUPAC Name | 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C12H19NOS.ClH/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11;/h4-7,10,13H,8-9H2,1-3H3;1H |
| InChI Key | SPMQEICNJPHQQZ-UHFFFAOYSA-N |
| MDL Number | MFCD09997635 |
| Molecular Formula | C12H20ClNOS |
| Molecular Weight | 261.8113 |
| SMILES | N(C(C)COC)CC1C=CC(SC)=CC=1.Cl |
| Synonyms | 1185293-64-4,
(2-METHOXY-1-METHYL-ETHYL)-(4-METHYLSULFANYL-BENZYL)-AMINE HYDROCHLORIDE,
(2-Methoxy-1-methylethyl)[4-(methylthio)benzyl]amine hydrochloride,
1-Methoxy-N-(4-(methylthio)benzyl)propan-2-amine hydrochloride,
C12H20ClNOS,
CTK7B2589,
ZX-CM015756,
0196AD,
MFCD09997635,
AKOS015849306,
TR-049913,
(1-methoxypropan-2-yl)({[4-(methylsulfanyl)phenyl]methyl})amine hydrochloride,
355816-32-9,
N/A,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.808g/mol |
| Monoisotopic Mass | 261.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number