Cas no 71172-38-8 (4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl-)
71172-38-8 structure
Product Name:4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl-
CAS No:71172-38-8
MF:C8H14N2O
MW:154.209561824799
CID:548108
PubChem ID:28780717
Update Time:2025-04-19
4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl-
- N-[(3,5-Dimethylisoxazol-4-yl)methyl]-N-ethylamine
- 4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl-(9CI)
- N-((3,5-Dimethylisoxazol-4-yl)methyl)ethanamine
- AKOS009007219
- SCHEMBL22722107
- 71172-38-8
-
- Inchi： 1S/C8H14N2O/c1-4-9-5-8-6(2)10-11-7(8)3/h9H,4-5H2,1-3H3
- InChI Key： CIDVDFALBKHEFM-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CNCC
Computed Properties
- Exact Mass: 154.11072
- Monoisotopic Mass: 154.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 38.1?2
Experimental Properties
- PSA: 38.06
4-Isoxazolemethanamine,N-ethyl-3,5-dimethyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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