Cas no 34440-99-8 (N-chrysen-5-ylformamide)
N-chrysen-5-ylformamide structure
Product Name:N-chrysen-5-ylformamide
CAS No:34440-99-8
MF:C19H13NO
MW:271.312624692917
CID:919182
PubChem ID:296542
Update Time:2025-04-19
N-chrysen-5-ylformamide Chemical and Physical Properties
Names and Identifiers
-
- N-chrysen-5-ylformamide
- 34440-99-8
- NSC-166746
- NSC166746
- DTXSID10304662
-
- Inchi： 1S/C19H13NO/c21-12-20-18-11-14-6-2-3-7-15(14)17-10-9-13-5-1-4-8-16(13)19(17)18/h1-12H,(H,20,21)
- InChI Key： ZERNOOGUAFPOQG-UHFFFAOYSA-N
- SMILES： O=CNC1C=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=1
Computed Properties
- Exact Mass: 271.09979
- Monoisotopic Mass: 271.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 382
- 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: 4.9
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.3
- Boiling Point: 569.3°C at 760 mmHg
- Flash Point: 338.9°C
- Refractive Index: 1.805
- PSA: 29.1
N-chrysen-5-ylformamide Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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