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Home > Boronic Acids > 1015242-02-0
1015242-02-0 | 6-(4-Methyl-1,4-diazepan-1-yl)pyridine-3-boronic acid pinacol ester
CAS No: 1015242-02-0 Catalog No: AG00H9HH MDL No:MFCD13191364
Product Description
Catalog Number:
AG00H9HH
Chemical Name:
6-(4-Methyl-1,4-diazepan-1-yl)pyridine-3-boronic acid pinacol ester
CAS Number:
1015242-02-0
Molecular Formula:
C17H28BN3O2
Molecular Weight:
317.2341
MDL Number:
MFCD13191364
IUPAC Name:
1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-1,4-diazepane
InChI:
InChI=1S/C17H28BN3O2/c1-16(2)17(3,4)23-18(22-16)14-7-8-15(19-13-14)21-10-6-9-20(5)11-12-21/h7-8,13H,6,9-12H2,1-5H3
InChI Key:
ZNFYRODGOMBSIZ-UHFFFAOYSA-N
SMILES:
CN1CCCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.227g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.24g/mol
Monoisotopic Mass:
317.227g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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