Cas no 56863-01-5 (octanoic acid, compound with tributylamine (1:1))
56863-01-5 structure
Product Name:octanoic acid, compound with tributylamine (1:1)
CAS No:56863-01-5
MF:C20H43NO2
MW:329.560926675797
CID:1600625
PubChem ID:6453403
Update Time:2025-04-21
octanoic acid, compound with tributylamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- octanoic acid, compound with tributylamine (1:1)
- octanoic acid - N,N-dibutylbutan-1-amine (1:1)
- N,N-dibutylbutan-1-amine,octanoic acid
- NS00087262
- DTXSID60205392
- EINECS 260-409-7
- 56863-01-5
-
- Inchi： 1S/C12H27N.C8H16O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8(9)10/h4-12H2,1-3H3;2-7H2,1H3,(H,9,10)
- InChI Key： FENTZGYTGCWDPS-UHFFFAOYSA-N
- SMILES： OC(CCCCCCC)=O.N(CCCC)(CCCC)CCCC
Computed Properties
- Exact Mass: 329.32959
- Monoisotopic Mass: 329.32938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 161
- 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: 40.5
Experimental Properties
- Boiling Point: 215.3°C at 760 mmHg
- Flash Point: 63.3°C
- PSA: 40.54
octanoic acid, compound with tributylamine (1:1) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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