1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal Structure

1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal

Chemical Properties

Melting point 301-304°C
Boiling point 372.1±42.0 °C(Predicted)
Density  1.32±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 2.36±0.20(Predicted)
form  solid
Appearance White to off-white Solid
Water Solubility  Insoluble in water.
BRN  1373325
InChI 1S/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12)
InChIKey HIIFALCQUKTUHB-UHFFFAOYSA-N
SMILES NC1(CCC2(CC1)OCCO2)C(O)=O
CAS DataBase Reference 54621-18-0(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H318
Precautionary statements P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes  Xi,Xn
Risk Statements  22-41
Safety Statements  22-24/25-39-26
WGK Germany  1
HazardClass  IRRITANT
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
NFPA 704:
0
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