4-Amino-2-(2-diethylaminoethyl)isoindole-1,3-dione

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Basic information

CAS: 81994-66-3
Standard SMILES: CCN(CC)CCN1C(=O)c2cccc(N)c2C1=O
InChIKey: LPNHZYDLLJNTNI-UHFFFAOYSA-N
Molecular formula: C14H19N3O2
Average molar mass: 261.32 g/mol
Monoisotopic mass: 261.14772686

Names & identifiers

Preferred name: 4-Amino-2-(2-diethylaminoethyl)isoindole-1,3-dione
IUPAC: 4-amino-2-[2-(diethylamino)ethyl]isoindole-1,3-dione

Names & synonyms

4-amino-2-(2-diethylaminoethyl)isoindole-1,3-dione81994-66-3NSC349009DTXSID10331019AKOS000159318NSC-349009DS-0148224-Amino-2-[2-(diethylamino)ethyl]-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 81994-66-3
PubChem CID: 434352
DTXSID: DTXSID10331019

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 355

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