| CAS Number | 112668-54-9 |
| Catalog Number | AG0079D4(AGN-PC-025V47) |
| Chemical Name | HEXADECANOIC ACID, 16-AZIDO- |
| IUPAC Name | 16-azidohexadecanoic acid |
| InChI | InChI=1S/C16H31N3O2/c17-19-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(20)21/h1-15H2,(H,20,21) |
| InChI Key | VLFHDUVVGCRNIZ-UHFFFAOYSA-N |
| MDL Number | MFCD28396913 |
| Molecular Formula | C16H31N3O2 |
| Molecular Weight | 297.4362 |
| SMILES | [N-]=[N+]=NCCCCCCCCCCCCCCCC(=O)O |
| Synonyms | 16-azidohexadecanoic acid,
Hexadecanoic acid, 16-azido-,
112668-54-9,
ACMC-20mgql,
SCHEMBL13446629,
CTK0D1277,
DTXSID20597700,
VLFHDUVVGCRNIZ-UHFFFAOYSA-N,
J3.516.186D,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.443g/mol |
| Monoisotopic Mass | 297.242g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 51.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number