Cas no 544-44-5 (8-hydroxyocta-2,4,6-triynamide)
544-44-5 structure
Product Name:8-hydroxyocta-2,4,6-triynamide
8-hydroxyocta-2,4,6-triynamide Chemical and Physical Properties
Names and Identifiers
-
- 8-hydroxyocta-2,4,6-triynamide
- 8-Hydroxy-2,4,6-octatriyneoic amide
- AGROCYBIN [MI]
- DTXSID20202786
- LMFA08010027
- A0AFV4JUIT
- Agrocybin
- 4-03-00-01047 (Beilstein Handbook Reference)
- CHEMBL1967731
- 2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-
- NCI60_012071
- NSC636326
- 8-Hydroxy-2,4,6-octatriynamide
- SCHEMBL1654320
- UNII-A0AFV4JUIT
- BRN 1761957
- AKOS006341004
- 544-44-5
- NSC-636326
- GLXC-21059
-
- Inchi： 1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)
- InChI Key： OXONWCQUZYDTNF-UHFFFAOYSA-N
- SMILES： OCC#CC#CC#CC(N)=O
Computed Properties
- Exact Mass: 147.03205
- Monoisotopic Mass: 147.032028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 341
- 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: 63.3
- XLogP3: -0.3
Experimental Properties
- Density: 1.352
- Melting Point: 140° (conflagrates)
- Boiling Point: 321.2°C at 760 mmHg
- Flash Point: 148°C
- Refractive Index: 1.62
- PSA: 63.32
8-hydroxyocta-2,4,6-triynamide Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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