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1011460-69-7

1011460-69-7 | Benzenemethanamine, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1011460-69-7 Catalog No: AG0003U8 MDL No:MFCD18730174

Product Description

Catalog Number:
AG0003U8
Chemical Name:
Benzenemethanamine, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1011460-69-7
Molecular Formula:
C14H22BNO2
Molecular Weight:
247.1410
MDL Number:
MFCD18730174
IUPAC Name:
[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
InChI:
InChI=1S/C14H22BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,9,16H2,1-5H3
InChI Key:
DYSAVNQPEUGNIH-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C

Properties

Complexity:
290  
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:
2  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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