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AN-465/42245776 is available in 138 mg

Compound details
MDL #:		MFCD05155856
Formula:		C12 H18 Br N
Weight:		256.19
Salt Data:		HCl
Chiral info:		Not available
Name:		N-(4-bromobenzyl)-N-pentylamine
SMILES:		CCCCCNCc1ccc(cc1)Br
InChI^TM:		InChI=1S/C12H18BrN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKey^TM:		WSUVOVCLWYRRDE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		904 mg/Kg
Chronic LOAEL:		3.87 mg/Kg
AMES Mutagenicity:		0.97
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.39	H-acceptors: 1
LogS:	-3.81	H-donors: 1
tPSA:	12.03 Å²	Rotatable bonds: 6

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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.