Cas no 5440-59-5 (Octadecanoic acid, 2-(acetylamino)-)
5440-59-5 structure
Product Name:Octadecanoic acid, 2-(acetylamino)-
CAS No:5440-59-5
MF:C20H39NO3
MW:341.528566598892
CID:386232
PubChem ID:227966
Update Time:2025-04-19
Octadecanoic acid, 2-(acetylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 2-(acetylamino)-
- 2-acetamidooctadecanoic acid
- 2-(acetylamino)octadecanoic acid
- AC1L5FVO
- AC1Q5KZR
- AR-1C8400
- CTK1H4901
- NSC20190
- NSC-20190
- DTXSID30281128
- 5440-59-5
- acetamidostearic acid
-
- Inchi： 1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(23)24)21-18(2)22/h19H,3-17H2,1-2H3,(H,21,22)(H,23,24)
- InChI Key： CWDGHGHIHCDSCH-UHFFFAOYSA-N
- SMILES： OC(C(CCCCCCCCCCCCCCCC)NC(C)=O)=O
Computed Properties
- Exact Mass: 341.29300
- Monoisotopic Mass: 341.293
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 0.949
- Boiling Point: 509.8°Cat760mmHg
- Flash Point: 262.1°C
- Refractive Index: 1.467
- PSA: 66.40000
- LogP: 5.83800
Octadecanoic acid, 2-(acetylamino)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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