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222530-33-8

Name BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID
CAS 222530-33-8
Molecular Formula C12H21NO4
MDL Number MFCD01862295
Molecular Weight 243.3
MOL File 222530-33-8.mol
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Chemical Properties

Melting point  143-147℃
Boiling point  396.7±31.0 °C(Predicted)
density  1.12±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 4.62±0.10(Predicted)
color  White to Almost white
InChI InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/s3
InChIKey JSGHMGKJNZTKGF-MASDURLHNA-N
SMILES [C@@H]1(C(O)=O)CCC[C@H](NC(OC(C)(C)C)=O)C1 |&1:0,7,r|

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
WGK Germany  3
HazardClass  IRRITANT
HS Code  29242990

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