| CAS Number | 369363-98-4 |
| Catalog Number | AG01AAFN(AGN-PC-0MWF4O) |
| Chemical Name | 3-ethynyl-N-(furan-2-ylmethyl)aniline |
| IUPAC Name | 3-ethynyl-N-(furan-2-ylmethyl)aniline |
| InChI | InChI=1S/C13H11NO/c1-2-11-5-3-6-12(9-11)14-10-13-7-4-8-15-13/h1,3-9,14H,10H2 |
| InChI Key | GAFNCQVEKQSJHY-UHFFFAOYSA-N |
| MDL Number | MFCD11138205 |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.2325 |
| SMILES | C#CC1=CC(NCC2OC=CC=2)=CC=C1 |
| Synonyms | 3-ethynyl-N-(furan-2-ylmethyl)aniline,
369363-98-4,
AC1Q284C,
SCHEMBL5612632,
ZINC19876837,
AKOS000224823,
MCULE-5912553126,
NE34968,
EN300-68457,
3-ethynyl-N-(2-furylmethyl)aniline,
CID9964359,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.237g/mol |
| Monoisotopic Mass | 197.084g/mol |
| Rotatable Bond Count | 4 |
| 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