| CAS Number | 83911-48-2 |
| Catalog Number | AG008HPF(AGN-PC-02LUNX) |
| Chemical Name | 9H-Pyrido[3,4-b]indole-3-carbonitrile |
| IUPAC Name | 9H-pyrido[3,4-b]indole-3-carbonitrile |
| InChI | InChI=1S/C12H7N3/c13-6-8-5-10-9-3-1-2-4-11(9)15-12(10)7-14-8/h1-5,7,15H |
| InChI Key | RYLDZJANGRBUGW-UHFFFAOYSA-N |
| MDL Number | MFCD21337215 |
| Molecular Formula | C12H7N3 |
| Molecular Weight | 193.2041 |
| SMILES | C1=CC=C2C(=C1)C3=C(C=NC(=C3)C#N)N2 |
| Synonyms | 9H-Pyrido[3,4-b]indole-3-carbonitrile,
83911-48-2,
3-cyano-beta-carboline,
SCHEMBL7379425,
CTK2I6031,
DTXSID20602000,
9H-beta-Carboline-3-carbonitrile,
RYLDZJANGRBUGW-UHFFFAOYSA-N,
MFCD21337215,
ZINC95093111,
AKOS016015056,
AK130650,
AJ-132205,
AX8251573,
ST2419091,
4CH-012451,
CS-0060592,
ACN-029341,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.209g/mol |
| Monoisotopic Mass | 193.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number