| CAS Number | 882751-30-6 |
| Catalog Number | AG01B0O3(AGN-PC-0LG48M) |
| Chemical Name | [(furan-2-yl)methyl](hexyl)amine |
| IUPAC Name | N-(furan-2-ylmethyl)hexan-1-amine |
| InChI | InChI=1S/C11H19NO/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6-7,9,12H,2-5,8,10H2,1H3 |
| InChI Key | VCBILSHADLJGHC-UHFFFAOYSA-N |
| MDL Number | MFCD00466608 |
| Molecular Formula | C11H19NO |
| Molecular Weight | 181.2747 |
| SMILES | CCCCCCNCC1OC=CC=1 |
| Synonyms | (FURAN-2-YLMETHYL)(HEXYL)AMINE,
882751-30-6,
SCHEMBL11191131,
ZINC7261092,
AKOS002619451,
MCULE-6338966069,
AC1NGE0U,
N-(2-furylmethyl)hexan-1-amine,
N-(furan-2-ylmethyl)hexan-1-amine,
CID4722616,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.146664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.27g/mol |
| Monoisotopic Mass | 181.146664g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 25.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number