| CAS Number | 1239468-48-4 |
| Catalog Number | AG009FFR(AGN-PC-0WNHB6) |
| Chemical Name | N-(9-Dimethylamino-1-oxononyl)-N-hydroxy-beta-alanine Methyl Ester |
| IUPAC Name | methyl 3-[9-(dimethylamino)nonanoyl-hydroxyamino]propanoate |
| InChI | InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-4-6-8-10-14(18)17(20)13-11-15(19)21-3/h20H,4-13H2,1-3H3 |
| InChI Key | KDYRPQNFCURCQB-UHFFFAOYSA-N |
| MDL Number | MFCD22375684 |
| Molecular Formula | C15H30N2O4 |
| Molecular Weight | 302.4097 |
| SMILES | O=C(CCN(O)C(=O)CCCCCCCCN(C)C)OC |
| Synonyms | 1239468-48-4,
N-(9-Dimethylamino-1-oxononyl)-N-hydroxy-beta-alanine Methyl Ester,
NCDM-32b,
CHEMBL3590434,
DTXSID80677153,
MFCD22375684,
ZINC96023967,
D4078,
Methyl N-[9-(dimethylamino)nonanoyl]-N-hydroxy-beta-alaninate,
3-[Hydroxy[9-(dimethylamino)nonanoyl]amino]propionic acid methyl ester,
methyl 3-[9-(dimethylamino)nonanoyl-hydroxyamino]propanoate,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.415g/mol |
| Monoisotopic Mass | 302.221g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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