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dimethyl({3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine

dimethyl({3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine

CAS: 627899-90-5

Formula: C17H28BNO3

SMILES: CN(C)CCCOC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: dimethyl({3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl})amine

InChI: InChI=1S/C17H28BNO3/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20-13-7-12-19(5)6/h8-11H,7,12-13H2,1-6H3

Composition: C (66.90%), H (9.25%), B (3.54%), N (4.59%), O (15.73%)

Molar Mass: 305.23

Atom Count: 50

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.216224
Formal Charge 0
FSP3 0.65
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ONRJKPSMQGEPHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.06
Topological Polar Surface Area 30.93
Polarizability 35.42
Ring Count 2
Rotatable Bond Count 6

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