Cas no 2893-60-9 (Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1))
2893-60-9 structure
Product Name:Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1)
CAS No:2893-60-9
MF:C11H18INO
MW:307.17119550705
CID:288501
PubChem ID:10733508
Update Time:2025-04-19
Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1)
- benzyl-(2-hydroxyethyl)-dimethylazanium,iodide
- N-Benzyl-2-hydroxy-N,N-dimethylethan-1-aminium iodide
- NSC163032
- DTXSID10951554
- 2893-60-9
- NSC-163032
-
- Inchi: 1S/C11H18NO.HI/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;/h3-7,13H,8-10H2,1-2H3;1H/q+1;/p-1
- InChI Key: VFHXXXKRFGGMFQ-UHFFFAOYSA-M
- SMILES: [I-].OCC[N+](C)(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 307.043
- Monoisotopic Mass: 307.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 139
- 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: 20.2A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 20.23000
- LogP: -1.74070
Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1) Related Literature
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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