Cas no 33025-25-1 (Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1))
33025-25-1 structure
Product Name:Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1)
CAS No:33025-25-1
MF:C26H55NO2
MW:413.720408678055
CID:314931
PubChem ID:118385
Update Time:2025-04-19
Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1) Chemical and Physical Properties
Names and Identifiers
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- Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1)
- DTXSID7067742
- 33025-25-1
-
- Inchi： 1S/C18H36O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9-8-6-4-2/h2-17H2,1H3,(H,19,20);9H,3-8H2,1-2H3
- InChI Key： WDALIVVQVDQVDE-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCCCC)=O.N(CCCC)CCCC
Computed Properties
- Exact Mass: 413.42355
- Monoisotopic Mass: 413.42328000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 22
- Complexity: 239
- 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: 49.3?2
Experimental Properties
- PSA: 49.33
Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
33025-25-1 (Octadecanoic acid, compd. with N-butyl-1-butanamine (1:1)) Related Products
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