Basic information
- CAS
68909-80-8- Standard SMILES
ClCc1ccccc1.c1ccc2cnccc2c1.c1ccc2ncccc2c1- InChIKey
HSFQKCSWOXMJFK-UHFFFAOYSA-N- Molecular formula
- C25H21ClN2
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1393264
Names & identifiers
- Preferred name
- Isoquinoline, reaction products with benzyl chloride and quinoline
- IUPAC
- chloromethylbenzene;isoquinoline;quinoline
Names & synonyms
EINECS 272-714-2RefChem:149896DTXSID8051209272-714-2
Database identifiers
- CAS
68909-80-8- PubChem CID
- 155121
- EC Number
- 272-714-2
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsoquinoline, reaction products with benzyl chloride and quinoline: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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