Home Boronic Acids 864754-07-4
864754-07-4,MFCD06657704
Catalog No.:AA004WF1
864754-07-4 | Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
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250mg
97%+
in stock  
$60.00
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1g
98%
in stock  
$95.00
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5g
98%
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$317.00
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Technical Information
Catalog Number:
AA004WF1
Chemical Name:
Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
CAS Number:
864754-07-4
Molecular Formula:
C17H25BN2O3
Molecular Weight:
316.2030
MDL Number:
MFCD06657704
IUPAC Name:
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(21)20-11-9-19-10-12-20/h5-8,19H,9-12H2,1-4H3
InChI Key:
OBWNKFAHYIGNHE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCNCC1
Properties
Computed Properties
 
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.196g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.208g/mol
Monoisotopic Mass:
316.196g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
864754-07-4 
4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester 
OBWNKFAHYIGNHE-UHFFFAOYSA-N 
KS-000022KL 
ABBYPHARMA AP-13-12359 
ANW-43252 
MFCD06657704 
AKOS015969205 
ZINC169743776 
AB25627 
AS-2952 
RTR-026925 
Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone 
BC000597 
FS000517 
OR361540 
SY028266 
AX8241034 
TR-026925 
MFCD06657704 (95%) 
B-4641 
J-513821 
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine 
4-(Piperazine-1-carbonyl)phenylboronic acid pinacol ester 
(Piperazin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone 
C17H25BN2O3 
ACN-044275 
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone 
Piperazin-1-yl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone 
1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine 
AMTB003 
SCHEMBL3718860 
CTK8B3820 
DTXSID60590073 
Literature
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