Cas no 5420-41-7 (1-Octadecanone,1-(10H-phenothiazin-10-yl)-)
5420-41-7 structure
Product Name:1-Octadecanone,1-(10H-phenothiazin-10-yl)-
CAS No:5420-41-7
MF:C30H43NOS
MW:465.733527421951
CID:381058
PubChem ID:222150
Update Time:2025-04-19
1-Octadecanone,1-(10H-phenothiazin-10-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanone,1-(10H-phenothiazin-10-yl)-
- 1-phenothiazin-10-yloctadecan-1-one
- 1-(10h-phenothiazin-10-yl)octadecan-1-one
- 10-stearoyl-phenothiazine
- AC1L5BDJ
- AC1Q5K0K
- CTK4J9975
- KST-1B6412
- NSC7509
- SureCN8970221
- DTXSID00278469
- SCHEMBL8970221
- NSC-7509
- 5420-41-7
-
- Inchi： 1S/C30H43NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-30(32)31-26-21-17-19-23-28(26)33-29-24-20-18-22-27(29)31/h17-24H,2-16,25H2,1H3
- InChI Key： PXPSGEPGXAQUEB-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N(C2C=CC=CC1=2)C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 465.30679
- Monoisotopic Mass: 465.307
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 16
- Complexity: 501
- 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: 11.4
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- Density: 1.03
- Boiling Point: 617.8°C at 760 mmHg
- Flash Point: 327.4°C
- Refractive Index: 1.551
- PSA: 20.31
- LogP: 10.14240
1-Octadecanone,1-(10H-phenothiazin-10-yl)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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