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tert-Butyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate - 97%, high purity , CAS No.330794-35-9
Basic Description
Synonyms | 4-(N-Boc-aminomethyl)phenylboronic acid, pinacol ester | 4-((N-BOC-AMINO)METHYL)PHENYLBORONICACIDPINACOLESTER | tert-butyl n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]carbamate | 4-(N-boc-aminomethyl)phenylboronic acid,pinacol ester | SY03730 |
Specifications & Purity | ≥97% |
Storage Temp | Store at 2-8°C,Argon charged |
Shipped In | Wet ice |
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Names and Identifiers
Pubchem Sid | 504762556 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762556 |
IUPAC Name | tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate |
INCHI | InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21) |
InChi Key | CUDCEJRRWNIPDL-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C |
PubChem CID | 3415442 |
Molecular Weight | 333.23 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 333.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 5 |
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Exact Mass | 333.211 Da |
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Monoisotopic Mass | 333.211 Da |
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Topological Polar Surface Area | 56.800 Ų |
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Heavy Atom Count | 24 |
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Formal Charge | 0 |
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Complexity | 434.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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