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7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

CAS: 1362243-37-5

Formula: C15H22BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2CCNCC2=C1

IUPAC: 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-11-7-8-17-10-12(11)9-13/h5-6,9,17H,7-8,10H2,1-4H3

Composition: C (69.52%), H (8.56%), B (4.17%), N (5.40%), O (12.35%)

Molar Mass: 259.16

Atom Count: 41

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.174359
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KJJPMCOKGXTLJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.27
Topological Polar Surface Area 30.49
Polarizability 30.25
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1362243-37-5 $342.70-$4,597.70$342.70$457.70$572.70$802.70$1,147.70$4,597.70
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