Cas no 30096-96-9 (Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1))
30096-96-9 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1)
CAS No:30096-96-9
MF:C11H17IN2O3
MW:352.168755292892
CID:322041
PubChem ID:24193650
Update Time:2025-04-19
Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1)
- trimethyl-[2-(4-nitrophenoxy)ethyl]azanium,iodide
- NSC154945
- NSC-154945
- 30096-96-9
- N,N,N-Trimethyl-2-(4-nitrophenoxy)ethan-1-aminium iodide
- DTXSID90638391
-
- Inchi: 1S/C11H17N2O3.HI/c1-13(2,3)8-9-16-11-6-4-10(5-7-11)12(14)15;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1
- InChI Key: QXCPQHZQDDTQIA-UHFFFAOYSA-M
- SMILES: [I-].O(C1C=CC(=CC=1)[N+](=O)[O-])CC[N+](C)(C)C
Computed Properties
- Exact Mass: 225.12401
- Monoisotopic Mass: 352.02839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 224
- 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: 55?2
Experimental Properties
- PSA: 52.37
- LogP: -0.79300
Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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