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144785-93-3 | 1,2,3-Propanetriamine, N1,N2,N3-tris(2-phenylethyl)-
CAS No: 144785-93-3 Catalog No: AG001K5Q MDL No:
Product Description
Catalog Number:
AG001K5Q
Chemical Name:
1,2,3-Propanetriamine, N1,N2,N3-tris(2-phenylethyl)-
CAS Number:
144785-93-3
Molecular Formula:
C27H35N3
Molecular Weight:
401.5869
IUPAC Name:
1-N,2-N,3-N-tris(2,2,2-triphenylethyl)propane-1,2,3-triamine
InChI:
InChI=1S/C63H59N3/c1-10-28-51(29-11-1)61(52-30-12-2-13-31-52,53-32-14-3-15-33-53)48-64-46-60(66-50-63(57-40-22-7-23-41-57,58-42-24-8-25-43-58)59-44-26-9-27-45-59)47-65-49-62(54-34-16-4-17-35-54,55-36-18-5-19-37-55)56-38-20-6-21-39-56/h1-45,60,64-66H,46-50H2
InChI Key:
HYMRAHOWMMUQMG-UHFFFAOYSA-N
SMILES:
N(CC(NCCc1ccccc1)CNCCc1ccccc1)CCc1ccccc1
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
857.471g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
858.186g/mol
Monoisotopic Mass:
857.471g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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