4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

CAS: 948592-80-1

Formula: C13H20BNO2

SMILES: CC1=CC(B2OC(C)(C)C(C)(C)O2)=C(N)C=C1

IUPAC: 4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

InChI: InChI=1S/C13H20BNO2/c1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3

Composition: C (66.98%), H (8.65%), B (4.64%), N (6.01%), O (13.73%)

Molar Mass: 233.12

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.158709
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LOOBNTHIWCHTCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.45
Topological Polar Surface Area	44.48
Polarizability	26.91
Ring Count	2
Rotatable Bond Count	1

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