Cas no 392312-40-2 (5-Isoxazolemethanamine,N,N-diethyl-3-methyl-)
392312-40-2 structure
Product Name:5-Isoxazolemethanamine,N,N-diethyl-3-methyl-
CAS No:392312-40-2
MF:C9H16N2O
MW:168.236142158508
CID:299282
PubChem ID:4180350
Update Time:2025-04-19
5-Isoxazolemethanamine,N,N-diethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanamine,N,N-diethyl-3-methyl-
- 5-Isoxazolemethanamine,N,N-diethyl-3-methyl-(9CI)
- AKOS024371677
- 392312-40-2
- N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine
- 3-methyl-5-diethylaminomethylisoxazole
-
- Inchi: 1S/C9H16N2O/c1-4-11(5-2)7-9-6-8(3)10-12-9/h6H,4-5,7H2,1-3H3
- InChI Key: VTFVHVBEZCJHQU-UHFFFAOYSA-N
- SMILES: O1C(=CC(C)=N1)CN(CC)CC
Computed Properties
- Exact Mass: 168.12638
- Monoisotopic Mass: 168.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 126
- 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: 1.4
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- PSA: 29.27
5-Isoxazolemethanamine,N,N-diethyl-3-methyl- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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