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141367-06-8 | 1,8-Octanediamine, N1,N8-bis[6-[(2-phenylethyl)amino]hexyl]-
CAS No: 141367-06-8 Catalog No: AG001GAX MDL No:
Product Description
Catalog Number:
AG001GAX
Chemical Name:
1,8-Octanediamine, N1,N8-bis[6-[(2-phenylethyl)amino]hexyl]-
CAS Number:
141367-06-8
Molecular Formula:
C36H62N4
Molecular Weight:
550.9043
IUPAC Name:
N,N'-bis[6-(2-phenylethylamino)hexyl]octane-1,8-diamine
InChI:
InChI=1S/C36H62N4/c1(3-15-27-37-29-17-5-7-19-31-39-33-25-35-21-11-9-12-22-35)2-4-16-28-38-30-18-6-8-20-32-40-34-26-36-23-13-10-14-24-36/h9-14,21-24,37-40H,1-8,15-20,25-34H2
InChI Key:
SQDWLKAJCKVCDU-UHFFFAOYSA-N
SMILES:
C(CCCNCCCCCCNCCc1ccccc1)CCCCNCCCCCCNCCc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.497g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
550.92g/mol
Monoisotopic Mass:
550.497g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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