| CAS Number | 1243259-19-9 |
| Catalog Number | AG000LU5(AGN-PC-0WH3GR) |
| Chemical Name | LM11A-31 (hydrochloride) |
| IUPAC Name | (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride |
| InChI | InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H/t10-,11-;;/m0../s1 |
| InChI Key | LLIHJRRZJDEKLB-ULEGLUPFSA-N |
| MDL Number | MFCD28166485 |
| Molecular Formula | C12H27Cl2N3O2 |
| Molecular Weight | 316.2677 |
| SMILES | Cl.Cl.N[C@H](C(=O)NCCN1CCOCC1)[C@H](CC)C |
| Synonyms | 1243259-19-9,
LM11A-31 Dihydrochloride,
LM11A 31 dihydrochloride,
SCHEMBL19064539,
AOB4429,
AKOS025142042,
AS-16801,
(2S,3S)-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide dihydrochloride,
Pentanamide, 2-amino-3-methyl-N-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:2), (2S,3S)-,
(2S,3S)-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide Hydrochloride,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.267g/mol |
| Monoisotopic Mass | 315.148g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number