| CAS Number | 1042566-60-8 |
| Catalog Number | AG01B0O4 |
| Chemical Name | Hexyl[(5-methylfuran-2-yl)methyl]amine |
| IUPAC Name | N-[(5-methylfuran-2-yl)methyl]hexan-1-amine |
| InChI | InChI=1S/C12H21NO/c1-3-4-5-6-9-13-10-12-8-7-11(2)14-12/h7-8,13H,3-6,9-10H2,1-2H3 |
| InChI Key | INKFHCBPUHWCKQ-UHFFFAOYSA-N |
| MDL Number | MFCD11161690 |
| Molecular Formula | C12H21NO |
| Molecular Weight | 195.3012 |
| SMILES | CCCCCCNCC1OC(C)=CC=1 |
| Synonyms | hexyl[(5-methylfuran-2-yl)methyl]amine,
1042566-60-8,
ZINC20143544,
AKOS002640262,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.306g/mol |
| Monoisotopic Mass | 195.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number