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168699-01-2 | 1,4-Butanediamine, N1,N4-bis[3-[(triphenylmethyl)amino]propyl]-
CAS No: 168699-01-2 Catalog No: AG001Y7V MDL No:
Product Description
Catalog Number:
AG001Y7V
Chemical Name:
1,4-Butanediamine, N1,N4-bis[3-[(triphenylmethyl)amino]propyl]-
CAS Number:
168699-01-2
Molecular Formula:
C48H54N4
Molecular Weight:
686.9692
IUPAC Name:
N,N'-bis[3-(tritylamino)propyl]butane-1,4-diamine
InChI:
InChI=1S/C48H54N4/c1-7-23-41(24-8-1)47(42-25-9-2-10-26-42,43-27-11-3-12-28-43)51-39-21-37-49-35-19-20-36-50-38-22-40-52-48(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-18,23-34,49-52H,19-22,35-40H2
InChI Key:
BZXLMOSECRQHCA-UHFFFAOYSA-N
SMILES:
C(CNCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)CCNCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
686.435g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
686.988g/mol
Monoisotopic Mass:
686.435g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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