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Home > Boronic Acids > 1379476-75-1
1379476-75-1 | 1-Piperazinecarboxylic acid, 4-(5-borono-3-methyl-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1379476-75-1 Catalog No: AG0017PG MDL No:MFCD23701644
Product Description
Catalog Number:
AG0017PG
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-borono-3-methyl-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1379476-75-1
Molecular Formula:
C15H24BN3O4
Molecular Weight:
321.1798
MDL Number:
MFCD23701644
IUPAC Name:
[5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C15H24BN3O4/c1-11-9-12(16(21)22)10-17-13(11)18-5-7-19(8-6-18)14(20)23-15(2,3)4/h9-10,21-22H,5-8H2,1-4H3
InChI Key:
GHPCJQQHZGRNDJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(cc1C)B(O)O)OC(C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.186g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.184g/mol
Monoisotopic Mass:
321.186g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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