| CAS Number | 890660-04-5 |
| Catalog Number | AG019G0R |
| Chemical Name | (E)-(3S)-3-Amino-5-methyl-1-(methylsulphonyl)hex-1-ene hydrochloride |
| IUPAC Name | (E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride |
| InChI | InChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H/b5-4+;/t8-;/m1./s1 |
| InChI Key | PVEBAYMGCSDWGH-LBOUNTCOSA-N |
| MDL Number | MFCD09998736 |
| Molecular Formula | C8H18ClNO2S |
| Molecular Weight | 227.7520 |
| SMILES | CC(C[C@@H](/C=C/S(=O)(=O)C)N)C.Cl |
| Synonyms | (E)-(3S)-3-Amino-5-methyl-1-(methylsulphonyl)hex-1-ene hydrochloride,
890660-04-5,
ZX-AT014944,
MFCD09998736,
OR2239,
(3S)-1-methanesulfonyl-5-methylhex-1-en-3-amine hydrochloride,
CID11579500,
(E,3S)-5-methyl-1-methylsulfonyl-hex-1-en-3-amine Hydrochloride,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.747g/mol |
| Monoisotopic Mass | 227.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number