| CAS Number | 444721-88-4 |
| Catalog Number | AG019LGR |
| Chemical Name | 1H,2H,3H,4H,5H-pyrido[4,3-b]indole-6-carboxylic acid hydrochloride |
| IUPAC Name | 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H12N2O2.ClH/c15-12(16)8-3-1-2-7-9-6-13-5-4-10(9)14-11(7)8;/h1-3,13-14H,4-6H2,(H,15,16);1H |
| InChI Key | ZHZSMNDMSZRVEA-UHFFFAOYSA-N |
| MDL Number | MFCD09971422 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.6968 |
| SMILES | Cl.OC(C1=C2C(C3=C(N2)CCNC3)=CC=C1)=O |
| Synonyms | 1H,2H,3H,4H,5H-pyrido[4,3-b]indole-6-carboxylic acid hydrochloride,
444721-88-4,
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6-carboxylic acid hydrochloride,
AC1Q3EXI,
SCHEMBL6497903,
CTK7I8852,
ZHZSMNDMSZRVEA-UHFFFAOYSA-N,
AKOS009169588,
MCULE-2138011156,
NE14709,
EN300-31211,
Z324553014,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.698g/mol |
| Monoisotopic Mass | 252.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number