Basic information
- CAS
823236-20-0- Standard SMILES
CC(C)(C)C1=NCCc2ccc(C=O)cc21- InChIKey
GPMMOBKDDVPMEH-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Names & identifiers
- Preferred name
- 1-tert-Butyl-3,4-dihydroisoquinoline-7-carbaldehyde
- IUPAC
- 1-tert-butyl-3,4-dihydroisoquinoline-7-carbaldehyde
Names & synonyms
823236-20-01-(tert-Butyl)-3,4-dihydroisoquinoline-7-carbaldehyde1-tert-Butyl-3,4-dihydroisoquinoline-7-carbaldehydeDTXSID40838349DB-389945
Database identifiers
- CAS
823236-20-0- PubChem CID
- 71419082
- DTXSID
DTXSID40838349
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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