Isoquinoline, 1,2,3,4-tetrahydro-2-tetradecyl-
Basic information
- CAS
96409-31-3- Standard SMILES
CCCCCCCCCCCCCCN1CCc2ccccc2C1- InChIKey
JSRKNMPJKCMOKD-UHFFFAOYSA-N- Molecular formula
- C23H39N
- Average molar mass
- 329.6 g/mol
- Monoisotopic mass
- 329.30825025
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-tetradecyl-
- IUPAC
- 2-tetradecyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
96409-31-32-tetradecyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-2-tetradecyl-NSC32401DTXSID50283604NSC-32401
Database identifiers
- CAS
96409-31-3- PubChem CID
- 233607
- DTXSID
DTXSID50283604
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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