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N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

CAS: 832114-11-1

Formula: C17H27BN2O3

SMILES: CN(C)CCNC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-13(8-10-14)15(21)19-11-12-20(5)6/h7-10H,11-12H2,1-6H3,(H,19,21)

Composition: C (64.16%), H (8.55%), B (3.40%), N (8.80%), O (15.08%)

Molar Mass: 318.22

Atom Count: 50

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.211473
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KTDBEJMIGCLCSU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.71
Topological Polar Surface Area 50.8
Polarizability 35.72
Ring Count 2
Rotatable Bond Count 5

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