Cas no 94135-17-8 (Hexanoic acid,6-(dioctadecylamino)-6-oxo-)
94135-17-8 structure
Product Name:Hexanoic acid,6-(dioctadecylamino)-6-oxo-
CAS No:94135-17-8
MF:C42H83NO3
MW:650.113333940506
CID:811317
PubChem ID:3023708
Update Time:2025-04-19
Hexanoic acid,6-(dioctadecylamino)-6-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,6-(dioctadecylamino)-6-oxo-
- 6-(dioctadecylamino)-6-oxohexanoic acid
- NS00040137
- EINECS 302-886-7
- DTXSID40240746
- 94135-17-8
-
- Inchi： 1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(41(44)37-33-34-38-42(45)46)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,45,46)
- InChI Key： CCURTKJJWYUDJV-UHFFFAOYSA-N
- SMILES： O=C(CCCCC(=O)O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 649.637
- Monoisotopic Mass: 649.637
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 46
- Rotatable Bond Count: 39
- Complexity: 586
- 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
- XLogP3: 17.5
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- Density: 0.901
- Boiling Point: 719°Cat760mmHg
- Flash Point: 388.6°C
- Refractive Index: 1.472
Hexanoic acid,6-(dioctadecylamino)-6-oxo- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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