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880-52-4

Name N-(1-Adamantyl)acetamide
CAS 880-52-4
EINECS(EC#) 212-914-9
Molecular Formula C12H19NO
MDL Number MFCD00074730
Molecular Weight 193.29
MOL File 880-52-4.mol
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Chemical Properties

Appearance white to light yellow crystal powde
Melting point  148-149 °C(lit.)
Boiling point  329.52°C (rough estimate)
density  0.9854 (rough estimate)
refractive index  1.4596 (estimate)
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka 16.16±0.20(Predicted)
color  White to yellow
Usage A metabolite of Adamantamine
InChI InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
InChIKey BCVXYGJCDZPKGV-UHFFFAOYSA-N
SMILES C(NC12CC3CC(CC(C3)C1)C2)(=O)C
CAS DataBase Reference 880-52-4(CAS DataBase Reference)
NIST Chemistry Reference N-(1-adamantyl)acetamide(880-52-4)
EPA Substance Registry System 880-52-4(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  AB4308000
TSCA  Yes
HS Code  29242998

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