| CAS Number | 242474-46-0 |
| Catalog Number | AG00J29J(AGN-PC-05X6GL) |
| Chemical Name | 3,5-Dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| IUPAC Name | 3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| InChI | InChI=1S/C12H14N2/c1-8-4-3-5-10-7-14-9(2)11(6-13)12(8)10/h7-8H,3-5H2,1-2H3 |
| InChI Key | XUOXBTQUAMVECG-UHFFFAOYSA-N |
| MDL Number | MFCD01651668 |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.2530 |
| SMILES | C1(=C(C)N=CC2CCCC(C)C1=2)C#N |
| Synonyms | 3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile,
242474-46-0,
AC1MXJSF,
DTXSID60396830,
ZX-CM008748,
FCH922438,
MFCD01651668,
AKOS006344528,
W-8485,
CID3816704,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.258g/mol |
| Monoisotopic Mass | 186.116g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number