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4-(benzyloxy)-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

4-(benzyloxy)-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

CAS: 205672-21-5

Formula: C19H26BN3O3

SMILES: CN(C)C1=NC(OCC2=CC=CC=C2)=C(C=N1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4-(benzyloxy)-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

InChI: InChI=1S/C19H26BN3O3/c1-18(2)19(3,4)26-20(25-18)15-12-21-17(23(5)6)22-16(15)24-13-14-10-8-7-9-11-14/h7-12H,13H2,1-6H3

Composition: C (64.24%), H (7.38%), B (3.04%), N (11.83%), O (13.51%)

Molar Mass: 355.25

Atom Count: 52

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 355.206722
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey NKPDCEDXNRUJQE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.14
Topological Polar Surface Area 56.71
Polarizability 39.15
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 205672-21-5 $94.50-$141.75$94.50$141.75
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