Cas no 87075-62-5 (13-Docosenamide,N-(9Z)-9-octadecenyl-, (13Z)- (9CI))
87075-62-5 structure
Product Name:13-Docosenamide,N-(9Z)-9-octadecenyl-, (13Z)- (9CI)
CAS No:87075-62-5
MF:C40H77NO
MW:588.045492887497
CID:724902
PubChem ID:44151328
Update Time:2025-04-19
13-Docosenamide,N-(9Z)-9-octadecenyl-, (13Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 13-Docosenamide,N-(9Z)-9-octadecenyl-, (13Z)- (9CI)
- (Z,Z)-N-octadec-9-enyldocos-13-enamide
- 87075-62-5
- n-oleyl erucamide
- SCHEMBL3375086
- 13-Docosenamide, N-(9Z)-9-octadecenyl-, (13Z)-
- DTXSID601248170
- EINECS 289-297-8
-
- Inchi： 1S/C40H77NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,41,42)/b19-17-,20-18-
- InChI Key： SFUDABXTUIYDDF-CLFAGFIQSA-N
- SMILES： O=C(CCCCCCCCCCC/C=C\CCCCCCCC)NCCCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 587.601
- Monoisotopic Mass: 587.601
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 42
- Rotatable Bond Count: 35
- Complexity: 566
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1A^2
- XLogP3: 17.1
Experimental Properties
- Density: 0.862
- Boiling Point: 679.2°C at 760 mmHg
- Flash Point: 421°C
- Refractive Index: 1.472
13-Docosenamide,N-(9Z)-9-octadecenyl-, (13Z)- (9CI) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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