| CAS Number | 1609402-71-2 |
| Catalog Number | AG00J0YY(AGN-PC-0WB6EI) |
| Chemical Name | 6-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrate |
| IUPAC Name | 6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrate |
| InChI | InChI=1S/C12H14N2.H2O/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;/h2-4,13-14H,5-7H2,1H3;1H2 |
| InChI Key | LNPSFIXQJIQFFY-UHFFFAOYSA-N |
| MDL Number | MFCD02127602 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | N1C2=C(C)C=CC=C2C2CNCCC=21.O |
| Synonyms | 1609402-71-2,
6-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrate,
ZX-CM002159,
MFCD13193776,
AKOS027426649,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number