Cas no 5438-04-0 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dibenzylpiperidine
- AC1L5EN3
- AC1Q1GSK
- AG-K-03903
- AR-1D4773
- CTK5A0758
- KB-226025
- NSC16574
- NSC-16574
- 5438-04-0
- DTXSID20280362
-
-
- Inchi： 1S/C19H23N/c1-3-8-16(9-4-1)14-18-12-7-13-19(20-18)15-17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
- InChI Key： VFXVLYPQEFIYDB-UHFFFAOYSA-N
- SMILES： N1C(CC2C=CC=CC=2)CCCC1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 265.18319
- Monoisotopic Mass: 265.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 1.024
- Boiling Point: 387.6°C at 760 mmHg
- Flash Point: 195.4°C
- Refractive Index: 1.567
- PSA: 12.03
Related Literature
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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