3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate (1:1)

HCID 6442010

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Basic information

CAS: 72089-18-0
Standard SMILES: CC(=O)[O-].Cc1[nH]c2ccccc2c1/C=C/C1=[N+](C)c2ccccc2C1(C)C
InChIKey: RUIBAOGHKUTPQO-UHFFFAOYSA-N
Molecular formula: C22H23N2.C2H3O2
Average molar mass: 374.5 g/mol
Monoisotopic mass: 374.19942808

Names & identifiers

Preferred name: 3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate (1:1)
IUPAC: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate

Names & synonyms

72089-18-03H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetateDTXSID9072498EINECS 276-334-81,3,3-Trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-3H-indolium acetate3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate (1:1)3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate (1:1)RefChem:95747DTXCID804721627ZDJ77PLS1,3,3-Trimethyl-2-(2-(2-methyl-1H-indol-3-yl)vinyl)-3H-indolium acetate

Show more names

NS000913311,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethen-1-yl]-3H-indol-1-ium acetate

Database identifiers

CAS: 72089-18-0
PubChem CID: 6442010
UNII: 27ZDJ77PLS
EC Number

Properties

Computed structural properties

Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 570

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate (1:1): INACTIVE

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