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Home > Boronic Acids > 1245505-23-0
1245505-23-0 | 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS No: 1245505-23-0 Catalog No: AG00HHOK MDL No:MFCD18775799
Product Description
Catalog Number:
AG00HHOK
Chemical Name:
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS Number:
1245505-23-0
Molecular Formula:
C17H27BN2O2
Molecular Weight:
302.2195
MDL Number:
MFCD18775799
IUPAC Name:
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
InChI:
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-20-11-9-19-10-12-20/h5-8,19H,9-13H2,1-4H3
InChI Key:
YDTPVWQNUYEICI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCNCC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.217g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.225g/mol
Monoisotopic Mass:
302.217g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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