9H-Fluorene-2,7-dicarboxylic acid, 9-oxo-, bis(3-(dibutylamino)propyl) ester, hydrochloride, hydrate (1:2:1)

HCID 37445

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Basic information

CAS: 36421-16-6
Standard SMILES: CCCC[NH+](CCCC)CCCOC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OCCC[NH+](CCCC)CCCC)ccc1-2.[Cl-].[Cl-]
InChIKey: ACEUWVRWFDRPEN-UHFFFAOYSA-N
Molecular formula: C37H56Cl2N2O5
Average molar mass: 679.8 g/mol
Monoisotopic mass: 678.3566283

Names & identifiers

Preferred name: 9H-Fluorene-2,7-dicarboxylic acid, 9-oxo-, bis(3-(dibutylamino)propyl) ester, hydrochloride, hydrate (1:2:1)
IUPAC: dibutyl-[3-[7-[3-(dibutylazaniumyl)propoxycarbonyl]-9-oxofluorene-2-carbonyl]oxypropyl]azanium dichloride

Names & synonyms

RMI 2557DA36421-16-6Bis(3-dibutylaminopropyl)9-oxofluorene-2,7-dicarboxylate dihydrochloride hydrate9H-Fluorene-2,7-dicarboxylic acid, 9-oxo-, bis(3-(dibutylamino)propyl) ester, hydrochloride, hydrate (1:2:1)RefChem:313490

Database identifiers

CAS: 36421-16-6
PubChem CID: 37445

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 24
Heavy atoms: 46
Formal charge: 0
Complexity: 768

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