Basic information
- CAS
21267-50-5- Standard SMILES
CCCCCCCN(CCCCCCC)CC(O)c1cc2ccccc2c2cnccc12.Cl- InChIKey
RRHNKPVXPBYGIS-UHFFFAOYSA-N- Molecular formula
- C29H43ClN2O
- Average molar mass
- 471.1 g/mol
- Monoisotopic mass
- 470.3063917
Names & identifiers
- Preferred name
- 1-(Benzo[h]isoquinolin-5-yl)-2-(diheptylamino)ethan-1-ol--hydrogen chloride (1/1)
- IUPAC
- 1-benzo[h]isoquinolin-5-yl-2-(diheptylamino)ethanol;hydrochloride
Names & synonyms
21267-50-51-(Benzo[h]isoquinolin-5-yl)-2-(diheptylamino)ethan-1-ol--hydrogen chloride (1/1)DTXSID30712806NSC151263NSC-151263
Database identifiers
- CAS
21267-50-5- PubChem CID
- 54599653
- DTXSID
DTXSID30712806
Properties
Computed structural properties
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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