Substance
- Substance Name: isoquinoline
- Formula: C9H7N
- Molecular Weight: 129.16 g/mol
- Identifiers:
- inchi: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
- inchikey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
- casrn: 119-65-3
- csmiles: C1=CC=C2C=NC=CC2=C1
- ismiles: C1=CC=C2C=NC=CC2=C1
- pubchemId: 8405
- iupacname: isoquinoline
- wikidataId: Q412316
- chemspiderId: 8098
- dsstoxcmpId: DTXCID0027644
- chemblId: CHEMBL12315
- ecnumber: 204-341-8
isoquinoline
Systems and Datasets
- 4-methylpentan-2-one + isoquinoline + water (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.8b00096 (Dataseries: 3, Datapoints: 27, Quantity: Mass fraction)