AromaDb: A Database of Plant's Aroma Molecules

L-Histidine Details

: IUPAC Name
L-Histidine
:Chemical Class
:CAS Registry Number
4104-45-4
:Description

:Fragrance Type
no aroma

Physical and Chemical properties

PUBCHEM ID6274
Molecular Weight (mg/mol)155.159
Molecular FormulaC4H11NS
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
IUPAC NameL-Histidine
Canonical SMILESCSCCCN
PUBCHEM IUPAC INCHIKEYKKYSBGWCYXYOHA-UHFFFAOYSA-N
Solubility Level5
Vapour Pressure-0.535

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA100.61
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP98-1.234
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.471777
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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 4104-45-4 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4104-45-4 L-Histidine

Compound Image


2D Structure

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