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433969-27-8

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433969-27-8 Structure

433969-27-8 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

2-BOC-AMINOMETHYL-PHENYLBORONIC ACID(433969-27-8)1HNMR
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