| CAS Number | 1354951-27-1 |
| Catalog Number | AG019S51 |
| Chemical Name | 1,2,3,4,5,6-Hexahydro-1-benzazocine hydrochloride |
| IUPAC Name | 1,2,3,4,5,6-hexahydro-1-benzazocine;hydrochloride |
| InChI | InChI=1S/C11H15N.ClH/c1-2-6-10-7-3-4-8-11(10)12-9-5-1;/h3-4,7-8,12H,1-2,5-6,9H2;1H |
| InChI Key | YRPMNVSJYGEGTP-UHFFFAOYSA-N |
| MDL Number | MFCD20441773 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | Cl.C1CCC2=C(C=CC=C2)NCC1 |
| Synonyms | 1,2,3,4,5,6-hexahydro-1-benzazocine hydrochloride,
1354951-27-1,
SCHEMBL19742945,
MCULE-2144530534,
NE42361,
EN300-91805,
Z1262691695,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.706g/mol |
| Monoisotopic Mass | 197.097g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number