| CAS Number | 864266-78-4 |
| Catalog Number | AG01A20B |
| Chemical Name | {4-[(Oxan-4-yloxy)methyl]phenyl}methanamine |
| IUPAC Name | [4-(oxan-4-yloxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C13H19NO2/c14-9-11-1-3-12(4-2-11)10-16-13-5-7-15-8-6-13/h1-4,13H,5-10,14H2 |
| InChI Key | AFOAYZQLYGSYAE-UHFFFAOYSA-N |
| MDL Number | MFCD14614918 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | NCC1=CC=C(COC2CCOCC2)C=C1 |
| Synonyms | {4-[(oxan-4-yloxy)methyl]phenyl}methanamine,
864266-78-4,
SCHEMBL506981,
ZINC40992540,
AKOS010540156,
MCULE-9773202587,
NE34875,
Z1495452419,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number