Cas no 35261-02-0 (4-Isoxazolecarbonitrile,5-amino-3-propyl-)
35261-02-0 structure
Product Name:4-Isoxazolecarbonitrile,5-amino-3-propyl-
CAS No:35261-02-0
MF:C7H9N3O
MW:151.165860891342
CID:295514
PubChem ID:45099024
Update Time:2025-04-19
4-Isoxazolecarbonitrile,5-amino-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarbonitrile,5-amino-3-propyl-
- 4-Isoxazolecarbonitrile,5-amino-3-propyl-(9CI)
- DTXSID501275952
- 35261-02-0
- 5-amino-3-propylisoxazole-4-carbonitrile
- AKOS017413507
- 5-Amino-3-propyl-4-isoxazolecarbonitrile
-
- Inchi： 1S/C7H9N3O/c1-2-3-6-5(4-8)7(9)11-10-6/h2-3,9H2,1H3
- InChI Key： FPVMGEBMPNDUMM-UHFFFAOYSA-N
- SMILES： O1C(=C(C#N)C(CCC)=N1)N
Computed Properties
- Exact Mass: 151.07467
- Monoisotopic Mass: 151.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 75.8A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 75.84
4-Isoxazolecarbonitrile,5-amino-3-propyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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