| CAS Number | 2138509-39-2 |
| Catalog Number | AG01EJ5P |
| Chemical Name | 9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride |
| IUPAC Name | 9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-8-7-11-5-6-13-10(8)9;/h2-4,11H,5-7H2,1H3;1H |
| InChI Key | AJHPWLBZQXPPBH-UHFFFAOYSA-N |
| MDL Number | MFCD23102782 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.COC1=C2C(CNCCO2)=CC=C1 |
| Synonyms | 9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride,
2138509-39-2,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number