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155905-76-3

Name (S)-1-Boc-azepane-2-carboxylic acid
CAS 155905-76-3
Molecular Formula C12H21NO4
Molecular Weight 243.31
MOL File 155905-76-3.mol
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Chemical Properties

Melting point  110-112 °C
Boiling point  369.0±35.0 °C(Predicted)
density  1.133±0.06 g/cm3(Predicted)
pka 4.03±0.20(Predicted)
InChI InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKey BKMVFOKQLCHCPK-VIFPVBQESA-N
SMILES N1(C(OC(C)(C)C)=O)CCCCC[C@H]1C(O)=O
CAS DataBase Reference 155905-76-3

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335-H413
Precautionary statements  P261-P305+P351+P338

Spectrum Detail

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