Cas no 14548-01-7 (Phenanthridine, 5-oxide)
Phenanthridine, 5-oxide structure
Product Name:Phenanthridine, 5-oxide
Phenanthridine, 5-oxide Chemical and Physical Properties
Names and Identifiers
-
- Phenanthridine, 5-oxide
- 5-oxidophenanthridin-5-ium
- 3,4-benzoquinoline N-oxide
- 9-aza-phenanthrene N-oxide
- AC1L1BRN
- CTK0H7053
- NSC263827
- Phenanthridin-5-oxid
- Phenanthridine N-oxide
- Phenanthridin-N-oxid
- SureCN4782479
- PHENANTHRIDINE5-OXIDE
- NSC-263827
- 14548-01-7
- Phenanthridine, 5-oxide (8CI)(9CI)
- 42DVV3F9BB
- DTXSID90163052
- Phenanthridine 5-oxide
- SCHEMBL4782479
- NSC 263827
-
- Inchi： 1S/C13H9NO/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
- InChI Key： BSGIEESBTVXEOH-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=C2C=CC=CC2=C2C=CC=CC=12
Computed Properties
- Exact Mass: 195.06847
- Monoisotopic Mass: 195.068414
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 231
- 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: 25.5
- XLogP3: 2.4
Experimental Properties
- Density: 1.18
- Boiling Point: 408.9°Cat760mmHg
- Flash Point: 201.1°C
- Refractive Index: 1.645
- PSA: 26.94
- LogP: 3.42150
Phenanthridine, 5-oxide Related Literature
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1. Addition reactions of heterocyclic compounds. Part XXVIII. The synthesis of phenanthridinium-5-vinyloxides and pyrrolo[1,2-f]phenanthridinesR. M. Acheson,A. S. Bailey,I. A. Selby J. Chem. Soc. C 1967 2066
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Edward C. Taylor,Gavin G. Spence Chem. Commun. (London) 1968 1037
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R. M. Acheson,A. S. Bailey,I. A. Selby Chem. Commun. (London) 1966 835a
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Edward C. Taylor,Gavin G. Spence Chem. Commun. (London) 1966 767b
-
5. Addition reactions of heterocyclic compounds. Part LIV. Rotational isomerism of 6-aralkyl-5-oxidovinylphenanthridiniums: an investigation by variable temperature nuclear magnetic resonance spectroscopyR. Morrin Acheson,Ian A. Selby J. Chem. Soc. Perkin Trans. 1 1974 423
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