| CAS Number | 1017170-44-3 |
| Catalog Number | AG01ABEJ |
| Chemical Name | 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine |
| IUPAC Name | 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine |
| InChI | InChI=1S/C12H13ClN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3 |
| InChI Key | YGYIXXSODUCIOB-UHFFFAOYSA-N |
| MDL Number | MFCD09882222 |
| Molecular Formula | C12H13ClN2S |
| Molecular Weight | 252.7630 |
| SMILES | CC(C1=C(C)N=C(C2=CC=C(Cl)C=C2)S1)N |
| Synonyms | 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine,
1017170-44-3,
AC1Q2B6N,
AKOS010541748,
MCULE-1876093247,
NE14583,
EN300-71395,
Z1266823234,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.76g/mol |
| Monoisotopic Mass | 252.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number