Basic information
- CAS
66827-80-3- Standard SMILES
CCCC[NH+](CCCC)CCOC(=O)C1c2ccccc2Cc2ccccc21.[Cl-]- InChIKey
IPJQTLYXCNXSAC-UHFFFAOYSA-N- Molecular formula
- C25H34ClNO2
- Average molar mass
- 416 g/mol
- Monoisotopic mass
- 415.227807
Names & identifiers
- Preferred name
- 2-(Dibutylamino)ethyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)
- IUPAC
- dibutyl-[2-(9,10-dihydroanthracene-9-carbonyloxy)ethyl]azanium chloride
Names & synonyms
66827-80-3DTXSID609854202-(Dibutylamino)ethyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)RefChem:1061554DTXCID4014126149,10-Dihydro-9-anthroic acid 2-(dibutylamino)ethyl ester hydrochloride9-ANTHROIC ACID, 9,10-DIHYDRO-, 2-(DIBUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66827-80-3- PubChem CID
- 48115
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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