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1012785-44-2 | Benzenemethanamine, N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1012785-44-2 Catalog No: AG000448 MDL No:MFCD09746204
Product Description
Catalog Number:
AG000448
Chemical Name:
Benzenemethanamine, N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1012785-44-2
Molecular Formula:
C17H28BNO2
Molecular Weight:
289.2207
MDL Number:
MFCD09746204
IUPAC Name:
N-ethyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
InChI:
InChI=1S/C17H28BNO2/c1-7-19(8-2)13-14-9-11-15(12-10-14)18-20-16(3,4)17(5,6)21-18/h9-12H,7-8,13H2,1-6H3
InChI Key:
VPXPXAUWTQPYDA-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.221g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.226g/mol
Monoisotopic Mass:
289.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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