Cas no 875249-70-0 (5-Isoxazolamine,3-methyl-4-propyl-)
875249-70-0 structure
Product Name:5-Isoxazolamine,3-methyl-4-propyl-
CAS No:875249-70-0
MF:C7H12N2O
MW:140.182981491089
CID:709798
PubChem ID:33783771
Update Time:2025-04-19
5-Isoxazolamine,3-methyl-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolamine,3-methyl-4-propyl-
- Isoxazole, 5-amino-3-methyl-4-propyl- (5CI)
- 875249-70-0
- 3-Methyl-4-propylisoxazol-5-amine
- AKOS006316814
-
- Inchi： 1S/C7H12N2O/c1-3-4-6-5(2)9-10-7(6)8/h3-4,8H2,1-2H3
- InChI Key： VHJRBTIRSOBSPF-UHFFFAOYSA-N
- SMILES： O1C(=C(C(C)=N1)CCC)N
Computed Properties
- Exact Mass: 140.094963011g/mol
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- 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: 1.8
- Topological Polar Surface Area: 52?2
5-Isoxazolamine,3-methyl-4-propyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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