Home Boronic acids 1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid

1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid

CAS No.:
1260150-04-6
Catalog Number:
AG000QR7
Molecular Formula:
C42H60B3N3O12
Molecular Weight:
831.3717
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$195
- +
1g
98%
In Stock USA
United States
$489
- +
5g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000QR7
Chemical Name:
1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid
CAS Number:
1260150-04-6
Molecular Formula:
C42H60B3N3O12
Molecular Weight:
831.3717
MDL Number:
MFCD06801709
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]boronic acid
InChI:
InChI=1S/C14H20BNO4/c1-14(2,3)20-13(17)16-8-4-5-10-9-11(15(18)19)6-7-12(10)16/h6-7,9,18-19H,4-5,8H2,1-3H3
InChI Key:
WCXMMFHVJAIPBW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties