2-(Diethylamino)ethyl 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
61356-11-4- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(N2C(=O)C3=C(CCCC3)C2=O)cc1.[Cl-]- InChIKey
TYBOBSQAPMLRHT-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2O4
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.165935
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoate--hydrogen chloride (1/1)
- IUPAC
- 2-[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoyl]oxyethyl-diethylazanium chloride
Names & synonyms
61356-11-4DTXSID509768822-(Diethylamino)ethyl 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoate--hydrogen chloride (1/1)RefChem:1061676DTXCID201404249Benzoic acid, 4-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochloride
Database identifiers
- CAS
61356-11-4- PubChem CID
- 43616
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
- 588
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Compound notes
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