Cas no 84549-45-1 (Phenylboronic acid N-butyldiethanolamine ester)
84549-45-1 structure
Product Name:Phenylboronic acid N-butyldiethanolamine ester
CAS No:84549-45-1
MF:C14H22BNO2
MW:247.14098405838
CID:2602390
PubChem ID:24885566
Update Time:2025-04-21
Phenylboronic acid N-butyldiethanolamine ester Chemical and Physical Properties
Names and Identifiers
-
- 6-butyl-2-phenyl-1,3,6,2-dioxazaborocane
- Phenylboronic acid N-butyldiethanolamine ester
- DTXSID60584896
- DTXCID60535661
- 84549-45-1
- Phenylboronic acid N-butyldiethanolamine ester, 97%
- 84526-36-3
-
- MDL： MFCD09265135
- Inchi： 1S/C14H22BNO2/c1-2-3-9-16-10-12-17-15(18-13-11-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
- InChI Key： XBJLGTGASXIEFZ-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC=CC=2)OCCN(CC1)CCCC
Computed Properties
- Exact Mass: 247.1743591Da
- Monoisotopic Mass: 247.1743591Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 21.7?2
Experimental Properties
- Melting Point: 126-130?°C
Phenylboronic acid N-butyldiethanolamine ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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