Cas no 92088-04-5 (4-Isoxazolamine,3,5-dimethyl-N-2-propyn-1-yl-)
92088-04-5 structure
Product Name:4-Isoxazolamine,3,5-dimethyl-N-2-propyn-1-yl-
CAS No:92088-04-5
MF:C8H10N2O
MW:150.177801609039
CID:800399
Update Time:2024-02-01
4-Isoxazolamine,3,5-dimethyl-N-2-propyn-1-yl- Chemical and Physical Properties
Names and Identifiers
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- 4-Isoxazolamine,3,5-dimethyl-N-2-propyn-1-yl-
- 4-Isoxazolamine,3,5-dimethyl-N-2-propynyl-(9CI)
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- Inchi： 1S/C8H10N2O/c1-4-5-9-8-6(2)10-11-7(8)3/h1,9H,5H2,2-3H3
- InChI Key： KXBRKZIVTJIQBT-UHFFFAOYSA-N
- SMILES： O1C(C)=C(NCC#C)C(C)=N1
Computed Properties
- Exact Mass: 150.079
- Monoisotopic Mass: 150.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 38.1A^2
4-Isoxazolamine,3,5-dimethyl-N-2-propyn-1-yl- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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