Basic information
- CAS
61294-55-1- Standard SMILES
CCOC(=O)c1c2ccc(Cl)cc2c(-c2ccccc2)n1CCCN(CC)CC.Cl- InChIKey
IGLAODWIVAVDIO-UHFFFAOYSA-N- Molecular formula
- C24H30Cl2N2O2
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.1684336
Names & identifiers
- Preferred name
- 2H-Isoindole-1-carboxylic acid, 5-chloro-2-(3-(diethylamino)propyl)-3-phenyl-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylate;hydrochloride
Names & synonyms
2H-Isoindole-1-carboxylic acid, 5-chloro-2-(3-(diethylamino)propyl)-3-phenyl-, ethyl ester, monohydrochloride5-Chloro-2-(3-(diethylamino)propyl)-3-phenylisoindole-1-carboxylic acid ethyl ester HCl61294-55-1DTXSID20210184RefChem:268742DTXCID20132675SCHEMBL11612775IGLAODWIVAVDIO-UHFFFAOYSA-N5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochlorideEthyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-2H-isoindole-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
61294-55-1- PubChem CID
- 3045895
- DTXSID
DTXSID20210184
Properties
Computed structural properties
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 507
Related reactions
3 records
Compound notes
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