| CAS Number | 847199-06-8 |
| Catalog Number | AG01EJ58(AGN-PC-0BUSZQ) |
| Chemical Name | 6-Methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride |
| IUPAC Name | 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-9-5-7-12-8-6-10(9)11;/h2-4,12H,5-8H2,1H3;1H |
| InChI Key | YFXRKXYNQZWTGH-UHFFFAOYSA-N |
| MDL Number | MFCD31301154 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | Cl.COC1=C2C(CCNCC2)=CC=C1 |
| Synonyms | SCHEMBL506120,
YFXRKXYNQZWTGH-UHFFFAOYSA-N,
6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride,
6-Methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine Hydrochloride,
847199-06-8,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number