Basic information
- CAS
27819-49-4- Standard SMILES
CCN(CC)CCOC(=O)C1c2ccccc2Cc2ccccc21.Cl- InChIKey
FZMYJEWPAHFZNM-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO2
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1652068
Overview
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Names & identifiers
- Preferred name
- 9-Anthroic acid,10-dihydro-, 2-(diethylamino)ethyl ester hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 9,10-dihydroanthracene-9-carboxylate;hydrochloride
Names & synonyms
NSC27440NSC-274409-Anthroic acid,10-dihydro-, 2-(diethylamino)ethyl ester hydrochloride
Database identifiers
- CAS
27819-49-4- PubChem CID
- 54599178
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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