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Home > Boronic Acids > 1003043-73-9
1003043-73-9 | 1-Piperazinecarboxylic acid, 4-(4-borono-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1003043-73-9 Catalog No: AG0001K7 MDL No:MFCD18261480
Product Description
Catalog Number:
AG0001K7
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-borono-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1003043-73-9
Molecular Formula:
C14H22BN3O4
Molecular Weight:
307.1532
MDL Number:
MFCD18261480
IUPAC Name:
[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-4-yl]boronic acid
InChI:
InChI=1S/C14H22BN3O4/c1-14(2,3)22-13(19)18-8-6-17(7-9-18)12-10-11(15(20)21)4-5-16-12/h4-5,10,20-21H,6-9H2,1-3H3
InChI Key:
NPPRXKFGYZIUSR-UHFFFAOYSA-N
SMILES:
OB(c1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.17g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.157g/mol
Monoisotopic Mass:
307.17g/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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