| CAS Number | 15136-26-2 |
| Catalog Number | AG00HXVG(AGN-PC-0O4AF6) |
| Chemical Name | (S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione |
| IUPAC Name | (3S,6S)-3-methyl-6-propan-2-ylpiperazine-2,5-dione |
| InChI | InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1 |
| InChI Key | ORLDMMKUTCCBSM-WDSKDSINSA-N |
| MDL Number | MFCD24549359 |
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.2090 |
| SMILES | CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O |
| Synonyms | 15136-26-2,
(S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione,
Cyclo(alanylvalyl),
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione,
ZINC6037250,
2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3S,6S)-,
3-Isopropyl-6-methyl-2,5-dioxopiperazine,
3-methyl-6-propan-2-ylpiperazine-2,5-dione,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.212g/mol |
| Monoisotopic Mass | 170.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number