Home Other Building Blocks 1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane

1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane

CAS No.:
170161-27-0
Catalog Number:
AG003DM7
Molecular Formula:
C25H48N4O6
Molecular Weight:
500.6718
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$144
- +
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG003DM7
Chemical Name:
1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane
CAS Number:
170161-27-0
Molecular Formula:
C25H48N4O6
Molecular Weight:
500.6718
MDL Number:
MFCD09263315
IUPAC Name:
tritert-butyl 1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
InChI:
InChI=1S/C25H48N4O6/c1-23(2,3)33-20(30)27-15-11-16-29(22(32)35-25(7,8)9)19-18-28(14-10-12-26-13-17-27)21(31)34-24(4,5)6/h26H,10-19H2,1-9H3
InChI Key:
FIPOUUYFPSMVMX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN(CCNCCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
694  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.357g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
500.681g/mol
Monoisotopic Mass:
500.357g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties