| CAS Number | 379729-44-9 |
| Catalog Number | AG019H6Y |
| Chemical Name | (5,6-Dihydro-4h-[1,3]thiazin-2-yl)-(5-methyl-heptyl)-amine |
| IUPAC Name | N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine |
| InChI | InChI=1S/C12H24N2S/c1-3-11(2)7-4-5-8-13-12-14-9-6-10-15-12/h11H,3-10H2,1-2H3,(H,13,14) |
| InChI Key | PVMDQZFDLAEDFH-UHFFFAOYSA-N |
| MDL Number | MFCD03152757 |
| Molecular Formula | C12H24N2S |
| Molecular Weight | 228.3974 |
| SMILES | CCC(CCCCNC1SCCCN=1)C |
| Synonyms | N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine,
379729-44-9,
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(5-methyl-heptyl)-amine,
AC1MU1S3,
AC1Q2S8X,
CTK6C8769,
AKOS000116012,
MCULE-1648008269,
NE36584,
EN300-02758,
Z56827754,
ZINC03885619,
CID3611366,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.398g/mol |
| Monoisotopic Mass | 228.166g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number