| CAS Number | 871689-46-2 |
| Catalog Number | AG01A91Z(AGN-PC-0WOA8D) |
| Chemical Name | 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethan-1-amine |
| IUPAC Name | 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine |
| InChI | InChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3 |
| InChI Key | TZGZKCXQYRXQER-UHFFFAOYSA-N |
| MDL Number | MFCD09724090 |
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.3180 |
| SMILES | CC1=CC=C(C2SC=C(CCN)N=2)C=C1 |
| Synonyms | 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethan-1-amine,
871689-46-2,
AKOS002301058,
MCULE-7758408934,
ST45233338,
EN300-64002,
Z993967204,
CID3799257,
4-Thiazoleethanamine, 2-(4-methylphenyl),
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine,
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamine,
AC1MY163,
AC1Q2K63,
SCHEMBL4906176,
ZINC4089313,
SBB076747,
STL210980,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.318g/mol |
| Monoisotopic Mass | 218.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number