| CAS Number | 1252548-92-7 |
| Catalog Number | AG01AATX |
| Chemical Name | [(3-methylphenyl)methyl][(thiophen-2-yl)methyl]amine hydrochloride |
| IUPAC Name | 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H15NS.ClH/c1-11-4-2-5-12(8-11)9-14-10-13-6-3-7-15-13;/h2-8,14H,9-10H2,1H3;1H |
| InChI Key | BWOPXPQAAXAGLF-UHFFFAOYSA-N |
| MDL Number | MFCD17480430 |
| Molecular Formula | C13H16ClNS |
| Molecular Weight | 253.7908 |
| SMILES | Cl.CC1=CC(CNCC2SC=CC=2)=CC=C1 |
| Synonyms | [(3-methylphenyl)methyl](thiophen-2-ylmethyl)amine hydrochloride,
1252548-92-7,
AC1Q39F9,
MCULE-5432007522,
NE57247,
EN300-69558,
Z234896829,
[(3-methylphenyl)methyl][(thiophen-2-yl)methyl]amine hydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.788g/mol |
| Monoisotopic Mass | 253.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number