| CAS Number | 1029008-71-6 |
| Catalog Number | AG008TAN |
| Chemical Name | 1,7-Isoquinolinediamine, 3-(3-methoxyphenyl)-N7,N7-dimethyl- |
| IUPAC Name | 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine |
| InChI | InChI=1S/C18H19N3O/c1-21(2)14-8-7-12-10-17(20-18(19)16(12)11-14)13-5-4-6-15(9-13)22-3/h4-11H,1-3H3,(H2,19,20) |
| InChI Key | SSNNAZIMPALQIR-UHFFFAOYSA-N |
| MDL Number | MFCD18910974 |
| Molecular Formula | C18H19N3O |
| Molecular Weight | 293.363 |
| SMILES | N1C(C2=CC=CC(OC)=C2)=CC2=C(C=C(C=C2)N(C)C)C=1N |
| Synonyms | 3-arylisoquinolinamine derivative,
1029008-71-6,
1,7-Isoquinolinediamine, 3-(3-methoxyphenyl)-N7,N7-dimethyl-,
CHEMBL1229132,
CS-B0390,
HY-32364,
1,7-IsoquinolinediaMine,3-(3-Methoxyphenyl)-N7,N7-diMethyl-,
S14-2676,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.152812g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.4g/mol |
| Monoisotopic Mass | 293.152812g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number