| CAS Number | 1153123-20-6 |
| Catalog Number | AG01AH3M |
| Chemical Name | N5-(4-fluorophenyl)isoquinoline-5,8-diamine |
| IUPAC Name | 5-N-(4-fluorophenyl)isoquinoline-5,8-diamine |
| InChI | InChI=1S/C15H12FN3/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9,19H,17H2 |
| InChI Key | WVTLRMVCVPDQTL-UHFFFAOYSA-N |
| MDL Number | MFCD12668727 |
| Molecular Formula | C15H12FN3 |
| Molecular Weight | 253.2743 |
| SMILES | NC1=C2C(C=CN=C2)=C(NC2=CC=C(F)C=C2)C=C1 |
| Synonyms | 5-N-(4-fluorophenyl)isoquinoline-5,8-diamine,
1153123-20-6,
N5-(4-fluorophenyl)isoquinoline-5,8-diamine,
AC1Q51BX,
ZINC35332789,
AKOS009486612,
MCULE-8897349399,
NE42381,
EN300-73598,
Z1266854965,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.28g/mol |
| Monoisotopic Mass | 253.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number