| CAS Number | 57644-67-4 |
| Catalog Number | AG01AAIF(AGN-PC-0NI6PP) |
| Chemical Name | 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine hydrochloride |
| IUPAC Name | 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-13-11-5-4-10-8-12-6-2-3-9(10)7-11;/h4-5,7,12H,2-3,6,8H2,1H3;1H |
| InChI Key | NTELMXWTMUCAEW-UHFFFAOYSA-N |
| MDL Number | MFCD17167196 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | Cl.COC1=CC2=C(CNCCC2)C=C1 |
| Synonyms | 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine hydrochloride,
57644-67-4,
7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepine HCl,
AC1Q3C4J,
SCHEMBL17965624,
MFCD17167196,
AKOS025440229,
MCULE-5128293527,
NE54022,
AS-35747,
EN300-68700,
Z1263602462,
|
| 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