54621-18-0

Name 1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL
CAS 54621-18-0
Molecular Formula C9H15NO4
MDL Number MFCD03790906
Molecular Weight 201.22
MOL File 54621-18-0.mol
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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
form  solid
pka 2.36±0.20(Predicted)
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)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
REACH Registrations Active
HazardClass  IRRITANT
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1

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