Cas no 21561-41-1 (Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)-)
21561-41-1 structure
Product Name:Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)-
CAS No:21561-41-1
MF:C7H8N2O2
MW:152.150621414185
CID:249886
PubChem ID:45099046
Update Time:2025-04-19
Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)-
- Aziridine,1-[(5-methyl-3-isoxazolyl)carbonyl]- (8CI)
- aziridin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
- (Aziridin-1-yl)(5-methyl-1,2-oxazol-3-yl)methanone
- 3-(AZIRIDINE-1-CARBONYL)-5-METHYL-1,2-OXAZOLE
- 21561-41-1
- DTXSID70667760
- Aziridin-1-yl(5-methylisoxazol-3-yl)methanone
-
- Inchi: 1S/C7H8N2O2/c1-5-4-6(8-11-5)7(10)9-2-3-9/h4H,2-3H2,1H3
- InChI Key: POHBKYQPFADMSG-UHFFFAOYSA-N
- SMILES: O=C(C1C=C(C)ON=1)N1CC1
Computed Properties
- Exact Mass: 152.05864
- Monoisotopic Mass: 152.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 0.4
- Topological Polar Surface Area: 46.1A^2
Experimental Properties
- PSA: 46.11
Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)- Related Literature
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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