| CAS Number | 1803607-15-9 |
| Catalog Number | AG01BFT4(AGN-PC-0WORVZ) |
| Chemical Name | 1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole hydrochloride |
| IUPAC Name | 1,2,3,4,5,6-hexahydroazepino[4,3-b]indole;hydrochloride |
| InChI | InChI=1S/C12H14N2.ClH/c1-2-5-11-9(4-1)10-8-13-7-3-6-12(10)14-11;/h1-2,4-5,13-14H,3,6-8H2;1H |
| InChI Key | AOGDPVDTQIUKDF-UHFFFAOYSA-N |
| MDL Number | MFCD28125030 |
| Molecular Formula | C12H15ClN2 |
| Molecular Weight | 222.7139 |
| SMILES | [H]Cl.C1(N2)=C(CNCCC1)C3=C2C=CC=C3 |
| Synonyms | 1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole hydrochloride,
1803607-15-9,
AKOS026742060,
Z2519037603,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.716g/mol |
| Monoisotopic Mass | 222.092g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number