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1004761-68-5 | Benzenamine, 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1004761-68-5 Catalog No: AG00022N MDL No:MFCD18837628
Product Description
Catalog Number:
AG00022N
Chemical Name:
Benzenamine, 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1004761-68-5
Molecular Formula:
C14H22BNO2
Molecular Weight:
247.1410
MDL Number:
MFCD18837628
IUPAC Name:
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C14H22BNO2/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8H,16H2,1-6H3
InChI Key:
SBYDVNRAKVMVMG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(C)c(c(c1)C)N
Properties
Complexity:
291
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:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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