Cas no 42940-00-1 (Hexadecanamide,N,N'-(iminodi-2,1-ethanediyl)bis- (9CI))
42940-00-1 structure
Product Name:Hexadecanamide,N,N'-(iminodi-2,1-ethanediyl)bis- (9CI)
CAS No:42940-00-1
MF:C36H73N3O2
MW:579.983731031418
CID:330932
PubChem ID:6451938
Update Time:2025-04-19
Hexadecanamide,N,N'-(iminodi-2,1-ethanediyl)bis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanamide,N,N'-(iminodi-2,1-ethanediyl)bis- (9CI)
- N,N'-(iminodiethane-2,1-diyl)bishexadecan-1-amide
- N-[2-[2-(hexadecanoylamino)ethylamino]ethyl]hexadecanamide
- NS00031269
- 42940-00-1
- SCHEMBL7782616
- DTXSID50195571
- EINECS 256-012-3
-
- Inchi： 1S/C36H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33-31-37-32-34-39-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-34H2,1-2H3,(H,38,40)(H,39,41)
- InChI Key： XRZBZKOCTDSGGS-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)NCCNCCNC(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 579.57027858g/mol
- Monoisotopic Mass: 579.57027858g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 41
- Rotatable Bond Count: 34
- Complexity: 495
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.1
- Topological Polar Surface Area: 70.2?2
Hexadecanamide,N,N'-(iminodi-2,1-ethanediyl)bis- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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