| CAS Number | 1185304-76-0 |
| Catalog Number | AG01B1TH(AGN-PC-0WBXJI) |
| Chemical Name | 8-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride |
| IUPAC Name | 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride |
| InChI | InChI=1S/C11H11ClN2.ClH/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10;/h1-2,5,13-14H,3-4,6H2;1H |
| InChI Key | CUJJNHSGYOSNTL-UHFFFAOYSA-N |
| MDL Number | MFCD09997588 |
| Molecular Formula | C11H12Cl2N2 |
| Molecular Weight | 243.1324 |
| SMILES | Cl.ClC1=CC2=C(NC3=C2CNCC3)C=C1 |
| Synonyms | 8-Chloro-2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]-indole hydrochloride,
1185304-76-0,
8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride,
8-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride,
CTK6H1951,
AKOS015845813,
TR-049833,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.131g/mol |
| Monoisotopic Mass | 242.038g/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