Food Additive Profile
Pubchem ID 14504
CAS 1192-58-1
IUPAC name 1-methylpyrrole-2-carbaldehyde
Synonyms -
Categories Flavor enhancer
SMILES CN1C=CC=C1C=O
InCheykey InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
Natural YES
E No. -
GHS Siginal -
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
109.128 0 1 1 22.0

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Good Absorption Optimal Solubility Weaker / Non binder Medium Non - Inhibitor Non Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Non-Carcinogen Non-Toxic Mutagen Irritant Irritant Irritant Degradable

References




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