AromaDb: A Database of Plant's Aroma Molecules

MethylIndoline Details

: IUPAC Name
1-methyl-2,3-dihydroindole
:Chemical Class
:CAS Registry Number
88475-55-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID55830
Molecular Weight (mg/mol)133.19
Molecular FormulaC9H11N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name1-methyl-2,3-dihydroindole
Canonical SMILESCN2CCc1ccccc12
PUBCHEM IUPAC INCHIKEYFIRXFHJQGIIJDB-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.282

Absorption and Metabolism information

XLOGP3 AA2.1
CACTVS TPSA3.2
BBB Level1
Absorption Level1
EXT PPB#Prediction1
AlogP982.066
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.484548 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 88475-55-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 88475-55-2 MethylIndoline

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Vetiver, Khus CIMAP-Khus 15 Vetiveria zizanoides CIMAP-KHUS 15 essential oil

Compound Image


2D Structure

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(External database - ChemAxon)