| CAS Number | 76495-22-2 |
| Catalog Number | AG019H4E(AGN-PC-0L7PXX) |
| Chemical Name | (4,5-Dihydro-thiazol-2-yl)-hexyl-amine |
| IUPAC Name | N-hexyl-4,5-dihydro-1,3-thiazol-2-amine |
| InChI | InChI=1S/C9H18N2S/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H,10,11) |
| InChI Key | MCRWWYQLJJKMCE-UHFFFAOYSA-N |
| MDL Number | MFCD01035662 |
| Molecular Formula | C9H18N2S |
| Molecular Weight | 186.3176 |
| SMILES | CCCCCCNC1SCCN=1 |
| Synonyms | N-hexyl-4,5-dihydro-1,3-thiazol-2-amine,
76495-22-2,
(4,5-Dihydro-thiazol-2-yl)-hexyl-amine,
AC1N6LLV,
AC1Q2WFE,
MLS001007694,
CHEMBL1903346,
CTK6E1104,
HMS2685B12,
ZINC3885524,
AKOS000115998,
MCULE-2512136770,
NE35285,
SMR000384782,
EN300-02503,
Z56827496,
ZINC03885524,
CID4236807,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.317g/mol |
| Monoisotopic Mass | 186.119g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number