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138500-88-6 | Benzenemethanamine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 138500-88-6 Catalog No: AG0019BN MDL No:MFCD02179455
Product Description
Catalog Number:
AG0019BN
Chemical Name:
Benzenemethanamine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
138500-88-6
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD02179455
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
InChI:
InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9,15H2,1-4H3
InChI Key:
FPUVAGQUKWMDKN-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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