1227926-67-1

Name (R)-1-Boc-azepane-2-carboxylic acid
CAS 1227926-67-1
Molecular Formula C12H21NO4
MDL Number MFCD18633592
Molecular Weight 243.299
MOL File 1227926-67-1.mol
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Chemical Properties

Melting point  109-113 °C
Boiling point  369.0±35.0 °C(Predicted)
density  1.133±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
pka 4.03±0.20(Predicted)
Appearance White to light brown Solid
Optical Rotation Consistent with structure
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-/m1/s1
InChIKey BKMVFOKQLCHCPK-SECBINFHSA-N
SMILES N1(C(OC(C)(C)C)=O)CCCCC[C@@H]1C(O)=O

Spectrum Detail

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