| CAS Number | 149654-41-1 |
| Catalog Number | AG00ATFF(AGN-PC-0Q3LPG) |
| Chemical Name | U-92016A |
| IUPAC Name | (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile;hydrochloride |
| InChI | InChI=1S/C19H25N3.ClH/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19;/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3;1H/t16-;/m1./s1 |
| InChI Key | XHLKAMFNZKKRFJ-PKLMIRHRSA-N |
| MDL Number | MFCD00920890 |
| Molecular Formula | C19H26ClN3 |
| Molecular Weight | 331.8828 |
| SMILES | CCCN(CCC)[C@@H](C1)CCC2=C1C(C=C(C#N)N3)=C3C=C2.Cl |
| Synonyms | 2-cyano-N,N-dipropyl-8-amino-6,7,8,9-tetrahydro-3H-benz(e)indole,
U 92016A,
U-92016A,
U92016A,
U 92016A,
149654-41-1,
U-92016A,
J-008606,
(R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile hydrochloride,
136924-88-4,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.888g/mol |
| Monoisotopic Mass | 331.182g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number