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1150271-47-8 | Benzenemethanamine, N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1150271-47-8 Catalog No: AG000FPZ MDL No:MFCD11855967
Product Description
Catalog Number:
AG000FPZ
Chemical Name:
Benzenemethanamine, N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1150271-47-8
Molecular Formula:
C14H22BNO2
Molecular Weight:
247.1410
MDL Number:
MFCD11855967
IUPAC Name:
N-methyl-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
InChI:
InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)12-9-7-6-8-11(12)10-16-5/h6-9,16H,10H2,1-5H3
InChI Key:
KWMMOAKRTGRWBD-UHFFFAOYSA-N
SMILES:
CNCc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.145g/mol
Monoisotopic Mass:
247.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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