Cas no 478016-08-9 (1-(3-Isopropylisoxazol-5-yl)-N,N-dimethylmethanamine)
478016-08-9 structure
Product Name:1-(3-Isopropylisoxazol-5-yl)-N,N-dimethylmethanamine
CAS No:478016-08-9
MF:C9H16N2O
MW:168.236142158508
CID:931409
Update Time:2023-08-02
1-(3-Isopropylisoxazol-5-yl)-N,N-dimethylmethanamine Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanamine,N,N-dimethyl-3-(1-methylethyl)-(9CI)
- 1-(3-isopropylisoxazol-5-yl)-N,N-dimethylmethanamine
- 1-(3-Isopropylisoxazol-5-yl)-N,N-dimethylmethanamine
-
- Inchi： 1S/C9H16N2O/c1-7(2)9-5-8(12-10-9)6-11(3)4/h5,7H,6H2,1-4H3
- InChI Key： BCUOKWFBVSZEOS-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)C)=N1)CN(C)C
Computed Properties
- Exact Mass: 168.126
- 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: 3
- Complexity: 137
- 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
- Topological Polar Surface Area: 29.3
1-(3-Isopropylisoxazol-5-yl)-N,N-dimethylmethanamine Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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