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Anti-Phenylacetaldoxime Details

: IUPAC Name
N-(2-phenylethylidene)hydroxylamine
:Chemical Class
:CAS Registry Number
7028-48-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID99748
Molecular Weight (mg/mol)135.163
Molecular FormulaC8H9NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC NameN-(2-phenylethylidene)hydroxylamine
Canonical SMILESO/N=C/Cc1ccccc1
PUBCHEM IUPAC INCHIKEYCXISHLWVCSLKOJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.77

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA32.6
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.603
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.12791 g/kg_body_weight
Ocular IrritancyModerate
Hepatotoxic#Prediction0
Effected Human GenesACSS2, CES1, ACSS1, IAH1, CES2, PMAIP1, PGR, ALDH2, ESD, ALDH1B1, ACHE, ACSS3, NR3C1, ALDH9A1, DYT10, CYP17A1, CA2, ASPA, ESR1, ALDH1A3, ALDH3B1, ALDH3B2, PAFAH1B2, PRKCA, KLK3

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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7028-48-0 Anti-Phenylacetaldoxime

Compound Image


2D Structure

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