Home Aminos Bis(1H-1,2,3-benzotriazol-1-ylmethyl)({6-[bis(1H-1,2,3-benzotriazol-1-ylmethyl)amino]hexyl})amine

Bis(1H-1,2,3-benzotriazol-1-ylmethyl)({6-[bis(1H-1,2,3-benzotriazol-1-ylmethyl)amino]hexyl})amine

CAS No.:
79202-98-5
Catalog Number:
AG01F2T4
Molecular Formula:
C34H36N14
Molecular Weight:
640.7434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
1 week
United States
$330
- +
250mg
96%
1 week
United States
$628
- +
Product Description
Catalog Number:
AG01F2T4
Chemical Name:
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)({6-[bis(1H-1,2,3-benzotriazol-1-ylmethyl)amino]hexyl})amine
CAS Number:
79202-98-5
Molecular Formula:
C34H36N14
Molecular Weight:
640.7434
MDL Number:
MFCD00961268
IUPAC Name:
N,N,N',N'-tetrakis(benzotriazol-1-ylmethyl)hexane-1,6-diamine
InChI:
InChI=1S/C34H36N14/c1(11-21-43(23-45-31-17-7-3-13-27(31)35-39-45)24-46-32-18-8-4-14-28(32)36-40-46)2-12-22-44(25-47-33-19-9-5-15-29(33)37-41-47)26-48-34-20-10-6-16-30(34)38-42-48/h3-10,13-20H,1-2,11-12,21-26H2
InChI Key:
PIYKVLPHZCIGMP-UHFFFAOYSA-N
SMILES:
C(CCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2)CCCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
848  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.325g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
640.76g/mol
Monoisotopic Mass:
640.325g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties