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1454653-68-9 | Benzenemethanamine, N-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1454653-68-9 Catalog No: AG01FFXG MDL No:
Product Description
Catalog Number:
AG01FFXG
Chemical Name:
Benzenemethanamine, N-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1454653-68-9
Molecular Formula:
C20H26BNO2
Molecular Weight:
323.2369
IUPAC Name:
4-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline
InChI:
InChI=1S/C20H26BNO2/c1-15-9-11-18(12-10-15)22-14-16-7-6-8-17(13-16)21-23-19(2,3)20(4,5)24-21/h6-13,22H,14H2,1-5H3
InChI Key:
RGBDVKSIDBQKAN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.243g/mol
Monoisotopic Mass:
323.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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