Cas no 105954-45-8 (Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]-)
![Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]- structure](https://ossimg.kuujia.com/scimg/106000/105954-45-8x500.png)
105954-45-8 structure
Product Name:Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]-
CAS No:105954-45-8
MF:C7H12N2O2
MW:156.182381629944
CID:126936
PubChem ID:13920999
Update Time:2025-04-18
Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]-
- Ethanol, 2-[[(3-methyl-5-isoxazolyl)methyl]amino]- (9CI)
- 2-(((3-methylisoxazol-5-yl)methyl)amino)ethanol
- 105954-45-8
- SCHEMBL7992354
- AKOS009134767
- 2-(3-methylisoxazol-5-ylmethylamino)ethanol
- 2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
-
- Inchi： 1S/C7H12N2O2/c1-6-4-7(11-9-6)5-8-2-3-10/h4,8,10H,2-3,5H2,1H3
- InChI Key： PSVGUYVOUJYIDQ-UHFFFAOYSA-N
- SMILES： O1C(=CC(C)=N1)CNCCO
Computed Properties
- Exact Mass: 156.089877630g/mol
- Monoisotopic Mass: 156.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 111
- 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: -0.5
- Topological Polar Surface Area: 58.3?2
Ethanol,2-[[(3-methyl-5-isoxazolyl)methyl]amino]- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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