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

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

CAS: 2724208-27-7

Formula: C19H31BN2O2

SMILES: CC(N1CCN(C)CC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1/C19H31BN2O2/c1-15(22-13-11-21(6)12-14-22)16-7-9-17(10-8-16)20-23-18(2,3)19(4,5)24-20/h7-10,15H,11-14H2,1-6H3

Composition: C (69.10%), H (9.46%), B (3.27%), N (8.48%), O (9.69%)

Molar Mass: 330.28

Atom Count: 55

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 330.247858
Formal Charge 0
FSP3 0.68
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey WBQHQUTUAOVLFF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.72
Topological Polar Surface Area 24.94
Polarizability 39.24
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2724208-27-7 $51.35-$560.45$51.35$63.37$86.31$98.33$294.98$560.45
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