Cas no 93904-84-8 (Pyrazine,(hexyloxy)methyl- (9CI))
93904-84-8 structure
Product Name:Pyrazine,(hexyloxy)methyl- (9CI)
CAS No:93904-84-8
MF:C11H18N2O
MW:194.273422718048
CID:809939
PubChem ID:90477606
Update Time:2025-04-19
Pyrazine,(hexyloxy)methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine,(hexyloxy)methyl- (9CI)
- (hexyloxy)methylpyrazine
- 2-(hexoxymethyl)pyrazine
- 2-(Hexyloxy)-3-methylpyrazine
- 93904-84-8
- 223719-33-3
- DTXSID601307227
-
- Inchi： 1S/C11H18N2O/c1-3-4-5-6-9-14-11-10(2)12-7-8-13-11/h7-8H,3-6,9H2,1-2H3
- InChI Key： IOTVUKNWZQTXFS-UHFFFAOYSA-N
- SMILES： O(C1C(C)=NC=CN=1)CCCCCC
Computed Properties
- Exact Mass: 194.141913
- Monoisotopic Mass: 194.141913
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 131
- 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: 35
- XLogP3: 3.8
Experimental Properties
- Density: 0.983
- Boiling Point: 267.9°Cat760mmHg
- Flash Point: 92.9°C
- Refractive Index: 1.487
Pyrazine,(hexyloxy)methyl- (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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