4-{3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}morpholine hydrochloride

4-{3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}morpholine hydrochloride

CAS: 1150271-72-9

Formula: C19H31BClNO3

SMILES: Cl.CC1(C)OB(OC1(C)C)C1=CC=CC(CCCN2CCOCC2)=C1

IUPAC: 4-{3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}morpholine hydrochloride

InChI: InChI=1S/C19H30BNO3.ClH/c1-18(2)19(3,4)24-20(23-18)17-9-5-7-16(15-17)8-6-10-21-11-13-22-14-12-21;/h5,7,9,15H,6,8,10-14H2,1-4H3;1H

Composition: C (62.06%), H (8.50%), B (2.94%), Cl (9.64%), N (3.81%), O (13.05%)

Molar Mass: 367.72

Atom Count: 56

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	367.208552
Formal Charge	0
FSP3	0.68
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WRGYYSFBZXNKLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.69
Topological Polar Surface Area	30.93
Polarizability	38.31
Ring Count	3
Rotatable Bond Count	5

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