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1171893-98-3 | 3-Pyridinemethanamine, N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1171893-98-3 Catalog No: AG000DWD MDL No:
Product Description
Catalog Number:
AG000DWD
Chemical Name:
3-Pyridinemethanamine, N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1171893-98-3
Molecular Formula:
C13H21BN2O2
Molecular Weight:
248.1290
IUPAC Name:
N-methyl-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanamine
InChI:
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-6-10(7-15-5)8-16-9-11/h6,8-9,15H,7H2,1-5H3
InChI Key:
URMJAMCUJUXTQW-UHFFFAOYSA-N
SMILES:
CNCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.17g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.133g/mol
Monoisotopic Mass:
248.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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