diethyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

diethyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

CAS: 1012785-44-2

Formula: C17H28BNO2

SMILES: CCN(CC)CC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: diethyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

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

Composition: C (70.60%), H (9.76%), B (3.74%), N (4.84%), O (11.06%)

Molar Mass: 289.23

Atom Count: 49

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.221309
Formal Charge	0
FSP3	0.65
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VPXPXAUWTQPYDA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.75
Topological Polar Surface Area	21.7
Polarizability	34.76
Ring Count	2
Rotatable Bond Count	5

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