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1150271-53-6 | Benzenemethanamine, N-(phenylmethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1150271-53-6 Catalog No: AG000FPV MDL No:MFCD09998360
Product Description
Catalog Number:
AG000FPV
Chemical Name:
Benzenemethanamine, N-(phenylmethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1150271-53-6
Molecular Formula:
C20H26BNO2
Molecular Weight:
323.2369
MDL Number:
MFCD09998360
IUPAC Name:
1-phenyl-N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]methanamine
InChI:
InChI=1S/C20H26BNO2/c1-19(2)20(3,4)24-21(23-19)18-13-9-8-12-17(18)15-22-14-16-10-6-5-7-11-16/h5-13,22H,14-15H2,1-4H3
InChI Key:
HBPOPQBBBLJNPW-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccccc1CNCc1ccccc1
Properties
Complexity:
390
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:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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