Indol-5-ol, 3-(2-aminoethyl)-, p-aminobenzoate (ester), dihydrochloride

HCID 29683

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Basic information

CAS: 19616-00-3
Standard SMILES: [Cl-].[Cl-].[NH3+]CCc1c[nH]c2ccc(OC(=O)c3ccc([NH3+])cc3)cc12
InChIKey: CFUGNOCPWVNJKA-UHFFFAOYSA-N
Molecular formula: C17H19Cl2N3O2
Average molar mass: 368.3 g/mol
Monoisotopic mass: 367.0854322

Names & identifiers

Preferred name: Indol-5-ol, 3-(2-aminoethyl)-, p-aminobenzoate (ester), dihydrochloride
IUPAC: 2-[5-(4-azaniumylbenzoyl)oxy-1H-indol-3-yl]ethylazanium dichloride

Names & synonyms

19616-00-3INDOL-5-OL, 3-(2-AMINOETHYL)-, p-AMINOBENZOATE (ester), DIHYDROCHLORIDERefChem:10872953-(2-Aminoethyl)indol-5-ol p-aminobenzoate dihydrochloride

Database identifiers

CAS: 19616-00-3
PubChem CID: 29683

Properties

Computed structural properties

Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 382

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