Cas no 87075-61-4 (13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)-)
87075-61-4 structure
Product Name:13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)-
CAS No:87075-61-4
MF:C44H85NO
MW:644.151814222336
CID:723304
PubChem ID:20841440
Update Time:2025-04-19
13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)- Chemical and Physical Properties
Names and Identifiers
-
- 13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)-
- Erucyl erucamide
- SCHEMBL395218
- 87075-61-4
- (13Z)-N-(13Z)-13-Docosen-1-yl-13-docosenamide
- DTXSID401250757
-
- Inchi： 1S/C44H85NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3,(H,45,46)/b19-17-,20-18-
- InChI Key： ABCFHTQGKNXCHE-CLFAGFIQSA-N
- SMILES： O=C(CCCCCCCCCCC/C=C\CCCCCCCC)NCCCCCCCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 643.663116
- Monoisotopic Mass: 643.663116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 46
- Rotatable Bond Count: 39
- Complexity: 623
- 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: 29.1
- XLogP3: 19.3
Experimental Properties
- Density: 0.861
- Boiling Point: 710.1°C at 760 mmHg
- Flash Point: 439.3°C
- Refractive Index: 1.472
13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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