Cas no 14593-03-4 (Benzenepropanaminium,N,N-diethyl-g-hydroxy-N-methyl-,iodide (1:1))
14593-03-4 structure
Product Name:Benzenepropanaminium,N,N-diethyl-g-hydroxy-N-methyl-,iodide (1:1)
CAS No:14593-03-4
MF:C14H24INO
MW:349.250936508179
CID:139978
PubChem ID:203498
Update Time:2025-04-19
Benzenepropanaminium,N,N-diethyl-g-hydroxy-N-methyl-,iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanaminium,N,N-diethyl-g-hydroxy-N-methyl-,iodide (1:1)
- diethyl-(3-hydroxy-3-phenylpropyl)-methylazanium,iodide
- 14593-03-4
- Diethyl(3-hydroxy-3-phenylpropyl)methylammonium iodide
- DTXSID50932721
- Methyldiethyl(3-hydroxy-3-phenylpropyl)ammonium iodide
- N,N-Diethyl-3-hydroxy-N-methyl-3-phenylpropan-1-aminium iodide
- Ammonium, diethyl(3-hydroxy-3-phenylpropyl)methyl-, iodide
-
- Inchi： 1S/C14H24NO.HI/c1-4-15(3,5-2)12-11-14(16)13-9-7-6-8-10-13;/h6-10,14,16H,4-5,11-12H2,1-3H3;1H/q+1;/p-1
- InChI Key： OFVLIRRWSLGMRM-UHFFFAOYSA-M
- SMILES： [I-].OC(C1C=CC=CC=1)CC[N+](C)(CC)CC
Computed Properties
- Exact Mass: 324.902
- Monoisotopic Mass: 349.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 183
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 19.9
Benzenepropanaminium,N,N-diethyl-g-hydroxy-N-methyl-,iodide (1:1) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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