Cas no 26544-24-1 (tert-Dodecanamine (9CI))
tert-Dodecanamine (9CI) structure
Product Name:tert-Dodecanamine (9CI)
tert-Dodecanamine (9CI) Chemical and Physical Properties
Names and Identifiers
-
- tert-Dodecanamine (9CI)
- tert-Dodecylamine(8CI)
- 2-Methyl-2-undecanamine
- UNII-54E1E54R02
- t-Dodecanamine
- SCHEMBL11413710
- DTXSID7043798
- tert-Dodecanamine
- NS00127101
- 54E1E54R02
- Q27261208
- 26544-24-1
-
- Inchi： 1S/C12H27N/c1-12(2,3)10-8-6-4-5-7-9-11-13/h4-11,13H2,1-3H3
- InChI Key： YZHGXHWIBUSYOW-UHFFFAOYSA-N
- SMILES： NCCCCCCCCC(C)(C)C
Computed Properties
- Exact Mass: 185.21435
- Monoisotopic Mass: 185.21435
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26
- XLogP3: 4.8
Experimental Properties
- Density: 0.804
- Boiling Point: 243.5°Cat760mmHg
- Flash Point: 96.6°C
tert-Dodecanamine (9CI) Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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