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AO-840/40768031 is available in 6835 mg

Compound details
MDL #:		MFCD00013275
Formula:		C8 H11 N
Weight:		121.18
Chiral info:		Not available
Name:		2,4-cyclopentadien-1-ylidene-N,N-dimethylmethanamine
SMILES:		CN(C)C=C1C=CC=C1
InChI^TM:		InChI=1S/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3
InChIKey^TM:		UJXXVGXQTXQALL-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		73.9 mg/Kg
Chronic LOAEL:		81.2 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	1.79	H-acceptors: 1
LogS:	-0.61
tPSA:	3.24 Å²	Rotatable bonds: 1

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.