Cas no 204-02-4 (1H-Perimidine)
1H-Perimidine structure
Product Name:1H-Perimidine
1H-Perimidine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Perimidine
- Perimidine
- Peri-naphthimidazole
- SCHEMBL8112
- AKOS000296733
- 5-23-08-00212 (Beilstein Handbook Reference)
- CHEMBL3717833
- 204-02-4
- 1H-Benzo(de)quinazoline
- DTXSID70174343
- BRN 0129318
- AE-848/00905041
- Q27116826
- CHEBI:36426
- AAQTWLBJPNLKHT-UHFFFAOYSA-N
- 1H-Perimidine (9CI)
- HS-3602
- CHEBI:36430
- DTXCID7096834
- STK394055
- G72163
- MFCD00024145
-
- Inchi： 1S/C11H8N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-7H,(H,12,13)
- InChI Key： AAQTWLBJPNLKHT-UHFFFAOYSA-N
- SMILES： N1C=NC2C=CC=C3C=CC=C1C3=2
Computed Properties
- Exact Mass: 168.06884
- Monoisotopic Mass: 168.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 224
- 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: 24.4A^2
- XLogP3: 2.1
Experimental Properties
- Density: 1.1722 (rough estimate)
- Melting Point: 223°C
- Boiling Point: 287.13°C (rough estimate)
- Flash Point: 178.2°C
- Refractive Index: 1.5200 (estimate)
- PSA: 24.39
- pka: 6.35(at 20℃)
1H-Perimidine Related Literature
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Alexander?V. Aksenov,Dmitrii S. Ovcharov,Nicolai A. Aksenov,Dmitrii A. Aksenov,Oleg N. Nadein,Michael Rubin RSC Adv. 2017 7 29927
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Alexander?V. Aksenov,Dmitrii S. Ovcharov,Nicolai A. Aksenov,Dmitrii A. Aksenov,Oleg N. Nadein,Michael Rubin RSC Adv. 2017 7 29927
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Roger W. Alder,Niall P. Hyland,John C. Jeffery,Thomas Riis-Johannessen,D. Jason Riley Org. Biomol. Chem. 2009 7 2704
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Mehdi Kalhor,Zohre Zarnegar RSC Adv. 2019 9 19333
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5. Rational design of an efficient one-pot synthesis of 6H-pyrrolo[2,3,4-gh]perimidines in polyphosphoric acidAlexander V. Aksenov,Nicolai A. Aksenov,Dmitrii S. Ovcharov,Dmitrii A. Aksenov,Georgii Griaznov,Leonid G. Voskressensky,Michael Rubin RSC Adv. 2016 6 82425
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