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1201645-45-5 | 3-Pyridinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1201645-45-5 Catalog No: AG000QFG MDL No:
Product Description
Catalog Number:
AG000QFG
Chemical Name:
3-Pyridinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1201645-45-5
Molecular Formula:
C18H23BN2O2
Molecular Weight:
310.1984
IUPAC Name:
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
InChI:
InChI=1S/C18H23BN2O2/c1-17(2)18(3,4)23-19(22-17)15-10-16(13-20-12-15)21-11-14-8-6-5-7-9-14/h5-10,12-13,21H,11H2,1-4H3
InChI Key:
NVQVMWLVKYGBHT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cncc(c1)NCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.185g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.204g/mol
Monoisotopic Mass:
310.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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