| CAS Number | 7114-81-0 |
| Catalog Number | AG005KPB(AGN-PC-0JTJZW) |
| Chemical Name | Isoquinoline-4-carboxamide |
| IUPAC Name | isoquinoline-4-carboxamide |
| InChI | InChI=1S/C10H8N2O/c11-10(13)9-6-12-5-7-3-1-2-4-8(7)9/h1-6H,(H2,11,13) |
| InChI Key | JGNIYFRSFZEFCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09999538 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | NC(C1=C2C(C=CC=C2)=CN=C1)=O |
| Synonyms | isoquinoline-4-carboxamide,
4-Isoquinolinecarboxamide,
7114-81-0,
4-Carbamoylisoquinoline,
AC1LCCBO,
4-Isoquinolinecarboxamide #,
SCHEMBL1121657,
CTK2H3994,
DTXSID00344719,
JGNIYFRSFZEFCQ-UHFFFAOYSA-N,
MFCD09999538,
ZINC32210917,
AKOS022882218,
SC-42841,
CID599020,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.187g/mol |
| Monoisotopic Mass | 172.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number