| CAS Number | 1152568-32-5 |
| Catalog Number | AG019X7V |
| Chemical Name | [4-(2-methoxy-5-methylphenyl)oxan-4-yl]methanamine |
| IUPAC Name | [4-(2-methoxy-5-methylphenyl)oxan-4-yl]methanamine |
| InChI | InChI=1S/C14H21NO2/c1-11-3-4-13(16-2)12(9-11)14(10-15)5-7-17-8-6-14/h3-4,9H,5-8,10,15H2,1-2H3 |
| InChI Key | IGCCIDMLRGNVFE-UHFFFAOYSA-N |
| MDL Number | MFCD10692698 |
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.3220 |
| SMILES | COC1=C(C2(CCOCC2)CN)C=C(C)C=C1 |
| Synonyms | [4-(2-methoxy-5-methylphenyl)oxan-4-yl]methanamine,
1152568-32-5,
AC1Q44R4,
ZINC34940519,
AKOS005206138,
MCULE-8377702420,
NE38474,
EN300-54291,
Z815264122,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.327g/mol |
| Monoisotopic Mass | 235.157g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number