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1150271-51-4 | Benzenemethanamine, N-(2-methoxyethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1150271-51-4 Catalog No: AG000FPX MDL No:MFCD11855968
Product Description
Catalog Number:
AG000FPX
Chemical Name:
Benzenemethanamine, N-(2-methoxyethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1150271-51-4
Molecular Formula:
C16H26BNO3
Molecular Weight:
291.1935
MDL Number:
MFCD11855968
IUPAC Name:
2-methoxy-N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
InChI:
InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14-9-7-6-8-13(14)12-18-10-11-19-5/h6-9,18H,10-12H2,1-5H3
InChI Key:
RWIHUPXIAMWITH-UHFFFAOYSA-N
SMILES:
COCCNCc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.201g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.198g/mol
Monoisotopic Mass:
291.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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