| CAS Number | 1332531-44-8 |
| Catalog Number | AG00HSUB(AGN-PC-0WB6RK) |
| Chemical Name | 2,3,4,5-Tetrahydro-1,4-benzoxazepin-7-ylmethanol hydrochloride |
| IUPAC Name | 2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethanol;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c12-7-8-1-2-10-9(5-8)6-11-3-4-13-10;/h1-2,5,11-12H,3-4,6-7H2;1H |
| InChI Key | SGPPUPHZQOXDLW-UHFFFAOYSA-N |
| MDL Number | MFCD19103261 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | C12CNCCOC=1C=CC(CO)=C2.Cl |
| Synonyms | 1332531-44-8,
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethanol hydrochloride,
(2,3,4,5-Tetrahydrobenzo[f][1,4]oxazepin-7-yl)methanol hydrochloride,
ZX-CM009582,
MFCD19103261,
AKOS027426376,
|
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number