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Home > Boronic Acids > 581065-57-8
581065-57-8 | 1-(2-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-PIPERIDINE
CAS No: 581065-57-8 Catalog No: AG00F2RW MDL No:MFCD09746227
Product Description
Catalog Number:
AG00F2RW
Chemical Name:
1-(2-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-PIPERIDINE
CAS Number:
581065-57-8
Molecular Formula:
C19H30BNO3
Molecular Weight:
331.2574
MDL Number:
MFCD09746227
IUPAC Name:
1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine
InChI:
InChI=1S/C19H30BNO3/c1-18(2)19(3,4)24-20(23-18)16-9-8-10-17(15-16)22-14-13-21-11-6-5-7-12-21/h8-10,15H,5-7,11-14H2,1-4H3
InChI Key:
DUVABZLNIXJVLC-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)OCCN1CCCCC1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.232g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.263g/mol
Monoisotopic Mass:
331.232g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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