Cimetidine

Melting point :139-144°C
Boiling point :476.2±55.0 °C(Predicted)
Density :1.2583 (rough estimate)
refractive index :1.5700 (estimate)
storage temp. :2-8°C
solubility :Slightly soluble in water, soluble in ethanol (96 per cent), practically insoluble in methylene chloride. It dissolves in dilute mineral acids.
form :Solid
pka :pKa 6.80 (Uncertain)
color :White to Off-White
Water Solubility :0.5 g/100 mL at 20 ºC
Merck :14,2279
Henry's Law Constant :1.0×10¹⁰ mol/(m³Pa) at 25℃, HSDB (2015)
Major Application :pharmaceutical
pharmaceutical small molecule InChI :1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey :AQIXAKUUQRKLND-UHFFFAOYSA-N
SMILES :CN\C(NC#N)=N\CCSCc1nc[nH]c1C
CAS DataBase Reference :51481-61-9(CAS DataBase Reference)
NIST Chemistry Reference :Cimetidine(51481-61-9)
IARC :3 (Vol. 50) 1990
EPA Substance Registry System :Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- (51481-61-9)

Symbol(GHS):
Signal word:	Danger
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H303 May be harmfulif swallowed Acute toxicity,oral Category 5 P312 H360 May damage fertility or the unborn child Reproductive toxicity Category 1A, 1B Danger
Precautionary statements:	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P308+P313 IF exposed or concerned: Get medical advice/attention. P405 Store locked up.