Cas no 111327-40-3 (10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1))
111327-40-3 structure
Product Name:10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1)
CAS No:111327-40-3
MF:C20H25BrN2OS
MW:421.39430308342
CID:193942
PubChem ID:60488
Update Time:2025-04-19
10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1)
- diethyl-methyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium,bromide
- DTXSID60912115
- AMMONIUM, DIETHYLMETHYL(2-(10-PHENOTHIAZINYLCARBONYL)ETHYL)-, BROMIDE
- n,n-diethyl-n-methyl-3-oxo-3-(10h-phenothiazin-10-yl)propan-1-aminium bromide
- Diethylmethyl(2-(10-phenothiazinylcarbonyl)ethyl)ammonium bromide
- 111327-40-3
-
- Inchi： 1S/C20H25N2OS.BrH/c1-4-22(3,5-2)15-14-20(23)21-16-10-6-8-12-18(16)24-19-13-9-7-11-17(19)21;/h6-13H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
- InChI Key： JCBTXNGQTHLEKV-UHFFFAOYSA-M
- SMILES： [Br-].S1C2C=CC=CC=2N(C2C=CC=CC1=2)C(CC[N+](C)(CC)CC)=O
Computed Properties
- Exact Mass: 394.8915
- Monoisotopic Mass: 420.087097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 415
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.6
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 20.31
- LogP: 1.76140
10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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