4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(diethylamino)ethyl)-, monohydrochloride
Basic information
- CAS
39488-05-6- Standard SMILES
CCN(CC)CCN1C(=O)C2C3C=CC(C3)C2C1=O.Cl- InChIKey
YUWICCHZPZWLFJ-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(diethylamino)ethyl)-, monohydrochloride
- IUPAC
- 4-[2-(diethylamino)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
- English name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(die thylamino)ethyl)-, monohydrochloride
- Molecular formula
- C15H22N2O2.ClH
- Molecular weight
- 298.81
Names & synonyms
39488-05-63a,4,7,7a-Tetrahydro-2-(2-(diethylamino)ethyl)-4,7-methano-1H-isoindole-1,3(2H)-dione HCl4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(diethylamino)ethyl)-, monohydrochlorideRefChem:286122DTXSID609601112-[2-(Diethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1)4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(die thylamino)ethyl)-, monohydrochloride
Database identifiers
- CAS
39488-05-6- PubChem CID
- 217690
- DTXSID
DTXSID60960111
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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