| CAS Number | 900641-34-1 |
| Catalog Number | AG019L91(AGN-PC-0WO87T) |
| Chemical Name | 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine |
| InChI | InChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-7-15-9(2)14-12/h3-8H,13H2,1-2H3 |
| InChI Key | SHQUBDGUMVSAGB-UHFFFAOYSA-N |
| MDL Number | MFCD08271847 |
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.3180 |
| SMILES | CC(C1=CC=C(C2N=C(C)SC=2)C=C1)N |
| Synonyms | 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethan-1-amine,
1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine,
900641-34-1,
AC1Q2B80,
CTK6C5894,
AKOS026728749,
MCULE-5701226346,
EN300-30494,
|
| Complexity | 202 |
| 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 | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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