Cas no 5411-74-5 ( )
structure
Product Name:
CAS No:5411-74-5
MF:C10H15ClN2O2
MW:230.691301584244
CID:939798
PubChem ID:24180729
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- trimethyl-[(3-nitrophenyl)methyl]azanium,chloride
- (3-nitrobenzyl)trimethylammonium chloride
- NSC86
- Trimethyl-(3-nitro-benzyl)-ammonium, Chlorid
- trimethyl-(3-nitro-benzyl)-ammonium, chloride
- TRIMETHYL(M-NITROBENZYL)AMMONIUM CHLORIDE
- AKOS024332767
- NSC-86
- N,N,N-Trimethyl-1-(3-nitrophenyl)methanaminium chloride
- DTXSID80636048
- 5411-74-5
- N,N,N-Trimethyl(3-nitrophenyl)methanaminium chloride
-
-
- Inchi： 1S/C10H15N2O2.ClH/c1-12(2,3)8-9-5-4-6-10(7-9)11(13)14;/h4-7H,8H2,1-3H3;1H/q+1;/p-1
- InChI Key： PUGVGJFXSXRJQA-UHFFFAOYSA-M
- SMILES： [Cl-].[O-][N+](C1=CC=CC(=C1)C[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 230.08200
- Monoisotopic Mass: 230.082205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 205
- 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: 45.8
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 45.82000
- LogP: -0.67180
Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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