| CAS Number | 1784180-64-8 |
| Catalog Number | AG01C2FO |
| Chemical Name | 8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| IUPAC Name | 8-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine |
| InChI | InChI=1S/C12H17NO2/c1-12(2)8-13-7-9-4-5-10(14-3)6-11(9)15-12/h4-6,13H,7-8H2,1-3H3 |
| InChI Key | XQPKDOZXNBJOIV-UHFFFAOYSA-N |
| MDL Number | MFCD29762709 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | COC1=CC2=C(CNCC(O2)(C)C)C=C1 |
| Synonyms | 8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine,
1784180-64-8,
ZINC213390474,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number