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AQ-012/42718459 is available in 804 mg

Compound details
MDL #:		MFCD00130024
Formula:		C8 H10 N2 O2
Weight:		166.18
Chiral info:		Not available
Name:		2,3-dimethyl-4-nitroaniline
SMILES:		Cc1c(C)c(ccc1(N))[N+](=O)[O-]
InChI^TM:		InChI=1S/C8H10N2O2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,9H2,1-2H3
InChIKey^TM:		XXIWYZBTCKMAMY-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		973 mg/Kg
Chronic LOAEL:		13.5 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	2.57	H-acceptors: 1
LogS:	-2.61	H-donors: 1
tPSA:	69.16 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.