Cas no 3441-56-3 (Benzenaminium, N,N,N-triethyl-3-methyl-, iodide (1:1))
3441-56-3 structure
Product Name:Benzenaminium, N,N,N-triethyl-3-methyl-, iodide (1:1)
CAS No:3441-56-3
MF:C13H22IN
MW:319.224956035614
CID:323780
PubChem ID:24189862
Update Time:2025-04-19
Benzenaminium, N,N,N-triethyl-3-methyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenaminium, N,N,N-triethyl-3-methyl-, iodide (1:1)
- triethyl-(3-methylphenyl)azanium,iodide
- NSC97414
- 3441-56-3
- NSC-97414
- DTXSID60637674
- N,N,N-Triethyl-3-methylanilinium iodide
-
- Inchi： 1S/C13H22N.HI/c1-5-14(6-2,7-3)13-10-8-9-12(4)11-13;/h8-11H,5-7H2,1-4H3;1H/q+1;/p-1
- InChI Key： KQKFNKOWSRVGJE-UHFFFAOYSA-M
- SMILES： [I-].[N+](C1C=CC=C(C)C=1)(CC)(CC)CC
Computed Properties
- Exact Mass: 192.17536
- Monoisotopic Mass: 319.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 152
- 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: 0A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 0
Benzenaminium, N,N,N-triethyl-3-methyl-, iodide (1:1) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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