| CAS Number | 1453071-47-0 |
| Catalog Number | AG00IMF0(AGN-PC-0WP08I) |
| Chemical Name | N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-β-alanine |
| IUPAC Name | 3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acid |
| InChI | InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19) |
| InChI Key | NEHSERYKENINRH-UHFFFAOYSA-N |
| MDL Number | MFCD28166486 |
| Molecular Formula | C15H27NO4 |
| Molecular Weight | 285.3792 |
| SMILES | O=C(O)CCN(C(CCCCCCCCC1CC1)=O)O |
| Synonyms | 1453071-47-0,
TC-E 5002,
N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine,
NCDM-64,
CHEMBL2424812,
SCHEMBL20493040,
BDBM50440289,
MFCD28166486,
ZINC96284021,
AKOS025142046,
A16373,
N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-?-alanine,
NEHSERYKENINRH-UHFFFAOYSA-N,
B4930,
C3134,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.384g/mol |
| Monoisotopic Mass | 285.194g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number