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N-(1-Adamantyl)acetamide Structure

N-(1-Adamantyl)acetamide

Chemical Properties

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)
pka 16.16±0.20(Predicted)
form  Crystalline Powder
color  White to yellow
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)
FDA UNII 5283Y1VOII
NIST Chemistry Reference N-(1-adamantyl)acetamide(880-52-4)
EPA Substance Registry System Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl- (880-52-4)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P280-P301+P312+P330
Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  36-24/25-26
WGK Germany  3
RTECS  AB4308000
TSCA  Yes
HS Code  29242998
NFPA 704:
1
2 0

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