N-Boc-piperidine-4-boronic Acid Pinacol Ester - CAS 1048970-17-7
Catalog: |
BB001507 |
Product Name: |
N-Boc-piperidine-4-boronic Acid Pinacol Ester |
CAS: |
1048970-17-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate |
Description: | N-Boc-piperidine-4-boronic Acid Pinacol Ester (CAS# 1048970-17-7) is a useful research chemical. |
Molecular Weight: | 311.22 |
Molecular Formula: | C16H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3 |
InChI Key: | IBLQMWKHENBVJE-UHFFFAOYSA-N |
Boiling Point: | 358.8 °C at 760 mmHg |
Melting Point: | 60-65 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.03 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD09997792 |
LogP: | 3.41760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113493490-A | Synthetic peptide amide compound and application thereof in medical field | 20200403 |
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Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.2267886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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