4-Methylpyridine Details

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Physical and Chemical properties

PUBCHEM ID	7963
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	93.1265
Molecular Formula	C6H7N
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
IUPAC Name	4-methylpyridine
Canonical SMILES	Cc1ccncc1
PUBCHEM IUPAC INCHIKEY	FKNQCJSGGFJEIZ-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	0.811

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	12.9
BBB Level	1
Absorption Level	1
EXT PPB#Prediction	0
AlogP98	1.165
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	0.704066 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				108-89-4	4-Methylpyridine

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Vetiver, Khus	Kesari	Vetiveria zizanoides Kesari essential oil
2	Vetiver, Khus	KS-1	Vetiveria zizanoides KS-1essential oil
3	Vetiver, Khus	CIMAP-Khus 15	Vetiveria zizanoides CIMAP-KHUS 15