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69868-16-2 | 1,2-Ethanediamine,N1,N1,N2-trioctyl-N2-[2-(octylamino)ethyl]-
CAS No: 69868-16-2 Catalog No: AG005HB5 MDL No:
Product Description
Catalog Number:
AG005HB5
Chemical Name:
1,2-Ethanediamine,N1,N1,N2-trioctyl-N2-[2-(octylamino)ethyl]-
CAS Number:
69868-16-2
Molecular Formula:
C36H77N3
Molecular Weight:
552.0167
IUPAC Name:
N'-[2-(dioctylamino)ethyl]-N,N'-dioctylethane-1,2-diamine
InChI:
InChI=1S/C36H77N3/c1-5-9-13-17-21-25-29-37-30-34-39(33-28-24-20-16-12-8-4)36-35-38(31-26-22-18-14-10-6-2)32-27-23-19-15-11-7-3/h37H,5-36H2,1-4H3
InChI Key:
YXOUIZKURYAMLM-UHFFFAOYSA-N
SMILES:
CCCCCCCCNCCN(CCN(CCCCCCCC)CCCCCCCC)CCCCCCCC
EC Number:
274-175-9
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.612g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
552.033g/mol
Monoisotopic Mass:
551.612g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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