Benzoic acid, 3-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochloride
Basic information
- CAS
61356-12-5- Standard SMILES
CC[NH+](CC)CCOC(=O)c1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1.[Cl-]- InChIKey
GBPPHXVROSSBQV-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2O4
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.165935
Names & identifiers
- Preferred name
- Benzoic acid, 3-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochloride
- IUPAC
- 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoyl]oxyethyl-diethylazanium chloride
Names & synonyms
61356-12-5Benzoic acid, 3-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochlorideRefChem:1079055
Database identifiers
- CAS
61356-12-5- PubChem CID
- 43618
Properties
Computed structural properties
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
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Compound notes
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