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Home > Boronic Acids > 1310404-00-2
1310404-00-2 | 1-Piperazinecarboxylic acid, 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-, 1,1-dimethylethyl ester
CAS No: 1310404-00-2 Catalog No: AG000VE9 MDL No:MFCD12827855
Product Description
Catalog Number:
AG000VE9
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1310404-00-2
Molecular Formula:
C23H37BN2O5
Molecular Weight:
432.3613
MDL Number:
MFCD12827855
IUPAC Name:
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H37BN2O5/c1-21(2,3)29-20(27)26-14-12-25(13-15-26)16-17-28-19-10-8-18(9-11-19)24-30-22(4,5)23(6,7)31-24/h8-11H,12-17H2,1-7H3
InChI Key:
PGZDXKDNXDRWHV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.28g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.368g/mol
Monoisotopic Mass:
432.28g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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