Cas no 68929-16-8 (Octadecanoic acid, compd. with 2-(diethylamino)ethanol (1:1))
68929-16-8 structure
Product Name:Octadecanoic acid, compd. with 2-(diethylamino)ethanol (1:1)
CAS No:68929-16-8
MF:C24H51NO3
MW:401.66664814949
CID:972660
PubChem ID:44149450
Update Time:2025-04-19
Octadecanoic acid, compd. with 2-(diethylamino)ethanol (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, compd. with 2-(diethylamino)ethanol (1:1)
- 2-(diethylamino)ethanol,octadecanoic acid
- 68929-16-8
- SCHEMBL10949578
- DTXSID1071874
-
- Inchi： 1S/C18H36O2.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7(4-2)5-6-8/h2-17H2,1H3,(H,19,20);8H,3-6H2,1-2H3
- InChI Key： MRJWKJUSWPVRHF-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCCCC)=O.OCCN(CC)CC
Computed Properties
- Exact Mass: 401.387
- Monoisotopic Mass: 401.387
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 20
- Complexity: 245
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.8A^2
Octadecanoic acid, compd. with 2-(diethylamino)ethanol (1:1) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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