155905-76-3

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155905-76-3 Structure

Identification	Back Directory
[Name] (S)-1-Boc-azepane-2-carboxylic acid
[CAS] 155905-76-3
[Synonyms] (S)-1-Boc-azepane-2-carboxylic acid (S)-1-(tert-butoxycarbonyl)azepane-2-carboxylic acid (2s)-1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid 1H-Azepine-1,2-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S)-
[Molecular Formula] C12H21NO4
[MOL File] 155905-76-3.mol
[Molecular Weight] 243.31

Chemical Properties	Back Directory
[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	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335-H413
[Precautionary statements ] P261-P305+P351+P338

Spectrum Detail	Back Directory
[Spectrum Detail] (S)-1-Boc-azepane-2-carboxylic acid(155905-76-3)¹HNMR

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