Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AJ-333/36116055 is available in 2811 mg

Compound details
MDL #:		MFCD01356915
Formula:		C9 H11 Cl N2 O
Weight:		198.65
Chiral info:		Not available
Name:		2-chloro-N-isopropylnicotinamide
SMILES:		CC(C)NC(=O)c1cccnc1Cl
InChI^TM:		InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H,12,13)
InChIKey^TM:		VOZRJJMDZPIFHZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		796 mg/Kg
Chronic LOAEL:		45.2 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	1.57	H-acceptors: 3
LogS:	-1.99	H-donors: 1
tPSA:	41.99 Å²	Rotatable bonds: 3

Purchase 10 mg of AJ-333/36116055 for only 14 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.