| CAS Number | 66200-70-2 |
| Catalog Number | AG019LUQ(AGN-PC-0JYNNP) |
| Chemical Name | [(2-Chlorophenyl)methyl](thiophen-2-ylmethyl)amine |
| IUPAC Name | 1-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine |
| InChI | InChI=1S/C12H12ClNS/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h1-7,14H,8-9H2 |
| InChI Key | VYOTZYLTMQWWNO-UHFFFAOYSA-N |
| MDL Number | MFCD04051939 |
| Molecular Formula | C12H12ClNS |
| Molecular Weight | 237.7484 |
| SMILES | C1=CC=C(C(=C1)CNCC2=CC=CS2)Cl |
| Synonyms | (2-CHLOROPHENYL)-N-(2-THIENYLMETHYL)METHANAMINE,
[(2-chlorophenyl)methyl](thiophen-2-ylmethyl)amine,
1-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine,
66200-70-2,
AC1LIYRD,
SCHEMBL11639244,
CTK6H3325,
STK298904,
ZINC54972820,
AKOS000233156,
MCULE-3145308249,
TR-054656,
ST45083537,
[(2-chlorophenyl)methyl](2-thienylmethyl)amine,
CID964961,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.745g/mol |
| Monoisotopic Mass | 237.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number