200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1012785-48-6
1012785-48-6 | 1-Piperazinecarboxylic acid, 4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1012785-48-6 Catalog No: AG000447 MDL No:MFCD12026070
Product Description
Catalog Number:
AG000447
Chemical Name:
1-Piperazinecarboxylic acid, 4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1012785-48-6
Molecular Formula:
C22H35BN2O4
Molecular Weight:
402.3353
MDL Number:
MFCD12026070
IUPAC Name:
tert-butyl 4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-10-8-9-11-18(17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3
InChI Key:
OPMBRIZLRWMNAC-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccccc1B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.269g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.342g/mol
Monoisotopic Mass:
402.269g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.