| CAS Number | 1249171-13-8 |
| Catalog Number | AG01AHBR |
| Chemical Name | (1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl)methanamine |
| IUPAC Name | [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine |
| InChI | InChI=1S/C12H21N3S/c1-2-12-14-11(9-16-12)8-15-5-3-10(7-13)4-6-15/h9-10H,2-8,13H2,1H3 |
| InChI Key | BDZIMXUZMGTGOM-UHFFFAOYSA-N |
| MDL Number | MFCD16110301 |
| Molecular Formula | C12H21N3S |
| Molecular Weight | 239.3802 |
| SMILES | CCC1SC=C(CN2CCC(CN)CC2)N=1 |
| Synonyms | {1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine,
1249171-13-8,
ZINC44513485,
AKOS011057528,
MCULE-4036404516,
NE36597,
EN300-74268,
Z1267773629,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.381g/mol |
| Monoisotopic Mass | 239.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number