Carbazole-9-carboxylic acid, 2-(diethylamino)ethyl ester, citrate
Basic information
- CAS
64057-93-8- Standard SMILES
CC[NH+](CC)CCOC(=O)n1c2ccccc2c2ccccc21.O=C([O-])CC(CO)(C(=O)O)C(=O)O- InChIKey
TXMIBOAQLCETRU-UHFFFAOYSA-N- Molecular formula
- C25H30N2O9
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.19513054
Names & identifiers
- Preferred name
- Carbazole-9-carboxylic acid, 2-(diethylamino)ethyl ester, citrate
- IUPAC
- 2-(carbazole-9-carbonyloxy)ethyl-diethylazanium;3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate
Names & synonyms
Diethylaminoethyl carbazol-N-carboxylate citrateCarbazole-9-carboxylic acid, 2-(diethylamino)ethyl ester, citrate64057-93-8DTXSID50214216RefChem:333301DTXCID501367072-[(9H-Carbazole-9-carbonyl)oxy]-N,N-diethylethan-1-aminium 3,3-dicarboxy-4-hydroxybutanoate
Database identifiers
- CAS
64057-93-8- PubChem CID
- 47098
- DTXSID
DTXSID50214216
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 599
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Related reactions
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Compound notes
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