Cas no 19493-25-5 (Benzenemethanaminium,N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1))
19493-25-5 structure
Product Name:Benzenemethanaminium,N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1)
CAS No:19493-25-5
MF:C13H22ClNO
MW:243.772882938385
CID:174584
PubChem ID:88091
Update Time:2025-04-19
Benzenemethanaminium,N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium,N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1)
- benzyldiethyl(2-hydroxyethyl)ammonium chloride
- benzyl-diethyl-(2-hydroxyethyl)azanium,chloride
- Benzyldiethylethanol ammonium,chloride
- EINECS 243-111-1
- n-benzyl-n,n-diethyl-2-hydroxyethanaminium chloride
- Benzyldiethylethanol ammonium, chloride
- Benzenemethanaminium, N,N-diethyl-N-(2-hydroxyethyl)-, chloride
- Benzenemethanaminium, N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1)
- benzyl-diethyl-(2-hydroxyethyl)azanium;chloride
- DTXSID50884892
- SCHEMBL11060915
- 19493-25-5
- NS00047764
-
- Inchi： 1S/C13H22NO.ClH/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13;/h5-9,15H,3-4,10-12H2,1-2H3;1H/q+1;/p-1
- InChI Key： MTIWHYTVKBFFOH-UHFFFAOYSA-M
- SMILES： [Cl-].OCC[N+](CC)(CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 243.13900
- Monoisotopic Mass: 243.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 160
- 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: 20.2?2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 20.23000
- LogP: -0.96050
Benzenemethanaminium,N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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