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N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - >98.0%, high purity , CAS No.920304-57-0
Basic Description
Synonyms | BCP31412 | 4-(Diethylamino)phenylboronic Acid Pinacol Ester | 4-(Diethylamino)benzeneboronic acid,pinacol ester | DTXSID30659782 | N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine | FT-0715475 | SCHEMBL1091446 | WVPMYKCIKQQJIV-UHFFFA |
Specifications & Purity | ≥98% |
Storage Temp | Argon charged |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504770412 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770412 |
IUPAC Name | N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
INCHI | InChI=1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3 |
InChi Key | WVPMYKCIKQQJIV-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CC)CC |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CC)CC |
PubChem CID | 44629855 |
Molecular Weight | 275.2 |
Reaxy-Rn | 18950108 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in Methanol |
Sensitivity | Air sensitive |
Molecular Weight | 275.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 4 |
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Exact Mass | 275.206 Da |
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Monoisotopic Mass | 275.206 Da |
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Topological Polar Surface Area | 21.700 Ų |
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Heavy Atom Count | 20 |
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Formal Charge | 0 |
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Complexity | 304.000 |
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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 |
Precautionary Statements | 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). P264:Wash hands [and …] thoroughly after handling. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
Reaxy-Rn | 18950108 |
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