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

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

CAS: 1613259-71-4

Formula: C14H22BNO2

SMILES: CNCC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)12-8-6-11(7-9-12)10-16-5/h6-9,16H,10H2,1-5H3

Composition: C (68.04%), H (8.97%), B (4.37%), N (5.67%), O (12.95%)

Molar Mass: 247.15

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.174359
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WNKCFPAMQIAINY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.96
Topological Polar Surface Area 30.49
Polarizability 29.22
Ring Count 2
Rotatable Bond Count 3

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