| CAS Number | 59079-44-6 |
| Catalog Number | AG00IAI6(AGN-PC-0WP1OF) |
| Chemical Name | H-Ile-cmk hcl |
| IUPAC Name | (3S,4S)-3-amino-1-chloro-4-methylhexan-2-one;hydrochloride |
| InChI | InChI=1S/C7H14ClNO.ClH/c1-3-5(2)7(9)6(10)4-8;/h5,7H,3-4,9H2,1-2H3;1H/t5-,7-;/m0./s1 |
| InChI Key | YAWFAOTZMQRKFE-KQBMADMWSA-N |
| MDL Number | MFCD19443520 |
| Molecular Formula | C7H15Cl2NO |
| Molecular Weight | 200.1061 |
| SMILES | CC[C@H](C)[C@H](N)C(CCl)=O.[H]Cl |
| Synonyms | H-ILE-CMK HCL,
59079-44-6,
KM5399,
MFCD19443520,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.103g/mol |
| Monoisotopic Mass | 199.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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