Cas no 5442-97-7 (1-Nonanone,1-(10H-phenothiazin-10-yl)-)
5442-97-7 structure
Product Name:1-Nonanone,1-(10H-phenothiazin-10-yl)-
CAS No:5442-97-7
MF:C21H25NOS
MW:339.494304418564
CID:385072
PubChem ID:224735
Update Time:2025-04-19
1-Nonanone,1-(10H-phenothiazin-10-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Nonanone,1-(10H-phenothiazin-10-yl)-
- 1-phenothiazin-10-ylnonan-1-one
- 1-(10h-phenothiazin-10-yl)nonan-1-one
- AC1L5DIJ
- AC1Q5K0I
- AR-1A9836
- CTK5A0968
- KST-1B6543
- NSC13463
- NSC-13463
- 5442-97-7
- DTXSID10279629
-
- Inchi： 1S/C21H25NOS/c1-2-3-4-5-6-7-16-21(23)22-17-12-8-10-14-19(17)24-20-15-11-9-13-18(20)22/h8-15H,2-7,16H2,1H3
- InChI Key： GPGRELSHWAIUBG-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N(C2C=CC=CC1=2)C(CCCCCCCC)=O
Computed Properties
- Exact Mass: 339.16585
- Monoisotopic Mass: 339.166
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 377
- 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: 6.5
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- Density: 1.118
- Boiling Point: 528.6°C at 760 mmHg
- Flash Point: 273.5°C
- Refractive Index: 1.591
- PSA: 20.31
1-Nonanone,1-(10H-phenothiazin-10-yl)- 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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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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