Fluorene-9-carboxylic acid, 2-(isobutylamino)ethyl ester, hydrochloride

HCID 45706

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Basic information

CAS: 63957-01-7
Standard SMILES: CCC(C)[NH2+]CCOC(=O)C1c2ccccc2-c2ccccc21.[Cl-]
InChIKey: IXBBCDAOBKUSMR-UHFFFAOYSA-N
Molecular formula: C20H24ClNO2
Average molar mass: 345.9 g/mol
Monoisotopic mass: 345.1495567

Names & identifiers

Preferred name: Fluorene-9-carboxylic acid, 2-(isobutylamino)ethyl ester, hydrochloride
IUPAC: butan-2-yl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium chloride

Names & synonyms

2-(Monoisobutyl)ethyl 9-fluorenecarboxylate hydrochloride63957-01-7FLUORENE-9-CARBOXYLIC ACID, 2-(ISOBUTYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:345523

Database identifiers

CAS: 63957-01-7
PubChem CID: 45706

Properties

Computed structural properties

Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 375

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