| CAS Number | 1157009-10-3 |
| Catalog Number | AG01AAW1(AGN-PC-0WO2T8) |
| Chemical Name | N-[(2-fluorophenyl)methyl]oxan-4-amine |
| IUPAC Name | N-[(2-fluorophenyl)methyl]oxan-4-amine |
| InChI | InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2 |
| InChI Key | VJDVDWXYFZNXLH-UHFFFAOYSA-N |
| MDL Number | MFCD12087575 |
| Molecular Formula | C12H16FNO |
| Molecular Weight | 209.2599 |
| SMILES | FC1=C(CNC2CCOCC2)C=CC=C1 |
| Synonyms | N-[(2-fluorophenyl)methyl]oxan-4-amine,
1157009-10-3,
AC1Q4L8E,
ZINC36304052,
AKOS008137524,
MCULE-3519969605,
NE55283,
EN300-69743,
Z823455846,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.264g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number