3-(2-Aminoethyl)-1H-indole-6,7-diol

HCID 39719

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Basic information

CAS: 50584-06-0
Standard SMILES: NCCc1c[nH]c2c(O)c(O)ccc12
InChIKey: JPQILYNPNMIPHV-UHFFFAOYSA-N
Molecular formula: C10H12N2O2
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.08987763

Names & identifiers

Preferred name: 3-(2-Aminoethyl)-1H-indole-6,7-diol
IUPAC: 3-(2-aminoethyl)-1H-indole-6,7-diol

Names & synonyms

3-(2-aminoethyl)-1H-indole-6,7-diol50584-06-0DTXSID40964793RefChem:1066482DTXCID0013924786,7-Dihydroxytryptamine6,7-Dht3-(2-Aminoethyl)indole-6,7-diolINDOLE-6,7-DIOL, 3-(2-AMINOETHYL)-SCHEMBL15563081

Database identifiers

CAS: 50584-06-0
PubChem CID: 39719
DTXSID: DTXSID40964793

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 82.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 201

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