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Home > Boronic Acids > 1383706-53-3
1383706-53-3 | Pyridine, 1,2,3,6-tetrahydro-1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1)
CAS No: 1383706-53-3 Catalog No: AG0018NN MDL No:MFCD15474879
Product Description
Catalog Number:
AG0018NN
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1)
CAS Number:
1383706-53-3
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
MDL Number:
MFCD15474879
IUPAC Name:
1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
InChI:
InChI=1S/C18H26BNO2.ClH/c1-17(2)18(3,4)22-19(21-17)16-10-12-20(13-11-16)14-15-8-6-5-7-9-15;/h5-10H,11-14H2,1-4H3;1H
InChI Key:
AOOYSVVVNBIGFZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C1=CCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.182g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.679g/mol
Monoisotopic Mass:
335.182g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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