Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride

HCID 20809
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Basic information

CAS
4682-98-8
Standard SMILES
CC(=O)c1ccc2[nH]cc(CCN)c2c1.Cl
InChIKey
NKRZJYIGPWYIBM-UHFFFAOYSA-N
Molecular formula
C12H15ClN2O
Average molar mass
238.71 g/mol
Monoisotopic mass
238.08729078

Names & identifiers

Preferred name
Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride
IUPAC
1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone;hydrochloride

Names & synonyms

4682-98-8KETONE, 3-(2-AMINOETHYL)INDOL-5-YL METHYL, HYDROCHLORIDE3-(2-Aminoethyl)indol-5-yl methyl ketone hydrochloride5-Acetyl-3-(2-aminoethyl)indole hydrochlorideDTXSID60196953RefChem:350411DTXCID001194441-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone hydrochloride1-[3-(2-Aminoethyl)-1H-indol-5-yl]ethan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS
4682-98-8
PubChem CID
20809
DTXSID
DTXSID60196953

Properties

Computed structural propertiesFilling in

Topological polar surface area
58.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

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