Home Carboxys 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

CAS No.:
1035235-26-7
Catalog Number:
AG007XGK
Molecular Formula:
C20H30BNO4
Molecular Weight:
359.2675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$694
- +
Product Description
Catalog Number:
AG007XGK
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1035235-26-7
Molecular Formula:
C20H30BNO4
Molecular Weight:
359.2675
MDL Number:
MFCD11044677
IUPAC Name:
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-12-11-15-14(13-22)9-8-10-16(15)21-25-19(4,5)20(6,7)26-21/h8-10H,11-13H2,1-7H3
InChI Key:
RCPDEZAVXYLSOR-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.227g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.273g/mol
Monoisotopic Mass:
359.227g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties