Cas no 861543-30-8 (5(2H)-Isoxazolimine,3-pentyl-)
5(2H)-Isoxazolimine,3-pentyl- structure
Product Name:5(2H)-Isoxazolimine,3-pentyl-
CAS No:861543-30-8
MF:C8H14N2O
MW:154.209561824799
CID:718325
PubChem ID:28980024
Update Time:2025-04-19
5(2H)-Isoxazolimine,3-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 5(2H)-Isoxazolimine,3-pentyl-
- Isoxazole, 3-amyl-2,5-dihydro-5-imino- (1CI)
- CS-0252827
- AKOS009253772
- DTXSID401313301
- 5-AMINO-3-PENTYLISOXAZOLE
- 3-pentyl-1,2-oxazol-5-amine
- 861543-30-8
- 3-Pentylisoxazol-5(2H)-imine
- Z362781266
- EN300-61710
- SCHEMBL1578164
- Q63399609
- 1038968-74-9
- 3-Pentyl-5-isoxazolamine
-
- Inchi： 1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
- InChI Key： SWUFZCKNJXQAAH-UHFFFAOYSA-N
- SMILES： O1C(=CC(CCCCC)=N1)N
Computed Properties
- Exact Mass: 154.110613074g/mol
- 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: 4
- Complexity: 108
- 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: 2.3
- Topological Polar Surface Area: 52?2
5(2H)-Isoxazolimine,3-pentyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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