Cas no 50888-62-5 (pyrazine, 3,5-dimethyl-2-pentyl- (9ci))
50888-62-5 structure
Product Name:pyrazine, 3,5-dimethyl-2-pentyl- (9ci)
CAS No:50888-62-5
MF:C11H18N2
MW:178.274022579193
CID:934439
PubChem ID:17861463
Update Time:2025-04-19
pyrazine, 3,5-dimethyl-2-pentyl- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- pyrazine, 3,5-dimethyl-2-pentyl- (9ci)
- 3,5-dimethyl-2-pentylpyrazine
- JHECZRZZPVHFGJ-UHFFFAOYSA-N
- DB-289042
- AKOS006370177
- DTXSID50591352
- PYRAZINE, 3,5-DIMETHYL-2-PENTYL-
- SCHEMBL7115027
- 50888-62-5
- dimethylpentylpyrazine
- Pyrazine,3,5-dimethyl-2-pentyl-(9ci)
-
- Inchi： 1S/C11H18N2/c1-4-5-6-7-11-10(3)13-9(2)8-12-11/h8H,4-7H2,1-3H3
- InChI Key： JHECZRZZPVHFGJ-UHFFFAOYSA-N
- SMILES： N1C=C(C)N=C(C)C=1CCCCC
Computed Properties
- Exact Mass: 178.146998583g/mol
- Monoisotopic Mass: 178.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 2.9
- Topological Polar Surface Area: 25.8?2
pyrazine, 3,5-dimethyl-2-pentyl- (9ci) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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