Cas no 14716-73-5 (5-Isoxazolemethanamine,3-(4-chlorophenyl)-N,N-diethyl-, hydrochloride (1:1))
14716-73-5 structure
Product Name:5-Isoxazolemethanamine,3-(4-chlorophenyl)-N,N-diethyl-, hydrochloride (1:1)
CAS No:14716-73-5
MF:C14H18Cl2N2O
MW:301.211521625519
CID:184125
PubChem ID:26835
Update Time:2025-04-19
5-Isoxazolemethanamine,3-(4-chlorophenyl)-N,N-diethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolemethanamine,3-(4-chlorophenyl)-N,N-diethyl-, hydrochloride (1:1)
- [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-diethylazanium,chloride
- ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(DIETHYLAMINOMETHYL)-, HYDROCHLORIDE
- 14716-73-5
- 3-(p-Chlorophenyl)-5-(diethylaminomethyl)isoxazole hydrochloride
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- Inchi： 1S/C14H17ClN2O.ClH/c1-3-17(4-2)10-13-9-14(16-18-13)11-5-7-12(15)8-6-11;/h5-9H,3-4,10H2,1-2H3;1H
- InChI Key： VYBFHFFWHMWJKC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1C=C(C[NH+](CC)CC)ON=1.[Cl-]
Computed Properties
- Exact Mass: 281.9389
- Monoisotopic Mass: 300.0796186g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 240
- 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: 30.5?2
Experimental Properties
- PSA: 31.93
5-Isoxazolemethanamine,3-(4-chlorophenyl)-N,N-diethyl-, hydrochloride (1:1) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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