433969-27-8

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433969-27-8 Structure

Identification	Back Directory
[Name] 2-BOC-AMINOMETHYL-PHENYLBORONIC ACID
[CAS] 433969-27-8
[Synonyms] 2-BOC-AMINOMETHYL-PHENYLBORONIC ACID 2-(tert-Butoxycarbonyl)benzylamineboronic acid (2-{[(TERT-BUTOXYCARBONYL)AMINO]METHYL}PHENYL)BORONIC ACID Carbamic acid, N-[(2-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
[Molecular Formula] C12H18BNO4
[MDL Number] MFCD05663974
[MOL File] 433969-27-8.mol
[Molecular Weight] 251.09

Chemical Properties	Back Directory
[Melting point ] 190-192 °C
[density ] 1.15±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 8.53±0.53(Predicted)
[InChI] InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
[InChIKey] NVCGSIBAXVRMLU-UHFFFAOYSA-N
[SMILES] C(=O)(OC(C)(C)C)NCC1C=CC=CC=1B(O)O

Safety Data	Back Directory
[WGK Germany ] WGK 3
[HS Code ] 2931900090
[Storage Class] 11 - Combustible Solids

Spectrum Detail	Back Directory
[Spectrum Detail] 2-BOC-AMINOMETHYL-PHENYLBORONIC ACID(433969-27-8)¹HNMR

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