| CAS Number | 98410-86-7 |
| Catalog Number | AG01B3YU(AGN-PC-0JQ0F7) |
| Chemical Name | 5-nitroisoquinolin-1-amine |
| IUPAC Name | 5-nitroisoquinolin-1-amine |
| InChI | InChI=1S/C9H7N3O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H,(H2,10,11) |
| InChI Key | SRYUOKQAZJCHNX-UHFFFAOYSA-N |
| MDL Number | MFCD18448166 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| NSC Number | 678410 |
| SMILES | NC1=C2C(C([N+]([O-])=O)=CC=C2)=CC=N1 |
| Synonyms | 5-nitroisoquinolin-1-amine,
98410-86-7,
NSC678410,
1-Isoquinolinamine, 5-nitro-,
AC1L8RPP,
1-Amino-5-nitroisoquinoline,
SCHEMBL9836130,
CTK8C7026,
ZINC5541166,
AKOS033932312,
NSC-678410,
NCI60_028083,
1-Amino-5-(hydroxy(oxido)amino)isoquinoline,
FT-0721505,
Z2509351092,
CID386442,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number