| CAS Number | 1248059-64-4 |
| Catalog Number | AG019ZAR |
| Chemical Name | {2-[(furan-2-yl)methoxy]-4-methylphenyl}methanamine |
| IUPAC Name | [2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine |
| InChI | InChI=1S/C13H15NO2/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h2-7H,8-9,14H2,1H3 |
| InChI Key | ZIQIKSKGGGAPGC-UHFFFAOYSA-N |
| MDL Number | MFCD16731715 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | CC1=CC(OCC2OC=CC=2)=C(CN)C=C1 |
| Synonyms | [2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine,
1248059-64-4,
ZINC51580307,
AKOS011590285,
MCULE-9245496376,
NE46813,
{2-[(furan-2-yl)methoxy]-4-methylphenyl}methanamine,
Z1398462018,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number