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Basic information
- CAS
61294-45-9- Standard SMILES
CCOC(=O)c1c2ccc(Cl)cc2c(-c2ccccc2)n1CCN(CC)CC.Cl- InChIKey
JARRFJLRNFBULQ-UHFFFAOYSA-N- Molecular formula
- C23H28Cl2N2O2
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 434.1527835
Names & identifiers
- Preferred name
- 2H-Isoindole-1-carboxylic acid, 5-chloro-2-(2-(diethylamino)ethyl)-3-phenyl-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 5-chloro-2-[2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylate;hydrochloride
Names & synonyms
2H-Isoindole-1-carboxylic acid, 5-chloro-2-(2-(diethylamino)ethyl)-3-phenyl-, ethyl ester, monohydrochloride5-Chloro-2-(2-(diethylamino)ethyl)-3-phenylisoindole-1-carboxylic acid ethyl ester HCl61294-45-9DTXSID60210183RefChem:268741DTXCID60132674SCHEMBL11609516JARRFJLRNFBULQ-UHFFFAOYSA-N5-chloro-2-[ 2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochloride5-chloro-2-[2-(diethylamino)-ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochloride5-chloro-2-[2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochlorideEthyl 5-chloro-2-[2-(diethylamino)ethyl]-3-phenyl-2H-isoindole-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
61294-45-9- PubChem CID
- 3045893
- DTXSID
DTXSID60210183
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 493
Related reactions
20 records
Compound notes
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