| CAS Number | 1184638-70-7 |
| Catalog Number | AG019SFV |
| Chemical Name | (Furan-2-ylmethyl)[2-(4-methylphenyl)ethyl]amine |
| IUPAC Name | N-(furan-2-ylmethyl)-2-(4-methylphenyl)ethanamine |
| InChI | InChI=1S/C14H17NO/c1-12-4-6-13(7-5-12)8-9-15-11-14-3-2-10-16-14/h2-7,10,15H,8-9,11H2,1H3 |
| InChI Key | XCOFEAMZTYGFGF-UHFFFAOYSA-N |
| MDL Number | MFCD12815975 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.2909 |
| SMILES | CC1=CC=C(CCNCC2OC=CC=2)C=C1 |
| Synonyms | (furan-2-ylmethyl)[2-(4-methylphenyl)ethyl]amine,
1184638-70-7,
ZINC37927579,
AKOS010210349,
MCULE-5886992257,
NE24880,
EN300-93488,
[(furan-2-yl)methyl][2-(4-methylphenyl)ethyl]amine,
Z1218163919,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.296g/mol |
| Monoisotopic Mass | 215.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number