Cas no 56617-69-7 (Pyrazine, 2,5-dimethyl-3-pentyl- (9CI))
56617-69-7 structure
Product Name:Pyrazine, 2,5-dimethyl-3-pentyl- (9CI)
CAS No:56617-69-7
MF:C11H18N2
MW:178.274022579193
CID:945657
PubChem ID:521746
Update Time:2025-04-19
Pyrazine, 2,5-dimethyl-3-pentyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 2,5-dimethyl-3-pentyl- (9CI)
- 2,5-dimethyl-3-pentylpyrazine
- DB-327313
- 56617-69-7
- 2,5-Dimethyl-3-n-pentylpyrazine
- VJNUCPVMBFFSSP-UHFFFAOYSA-N
- SCHEMBL7115020
- Pyrazine, 2,5-dimethyl-3-pentyl-
- Pyrazine,2,5-dimethyl-3-pentyl-(9ci)
- DTXSID80334719
- 2,5-Dimethyl-3-pentylpyrazine #
-
- Inchi： 1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3
- InChI Key： VJNUCPVMBFFSSP-UHFFFAOYSA-N
- SMILES： CCCCCC1C(C)=NC=C(C)N=1
Computed Properties
- Exact Mass: 178.14714
- 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: 2.8
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrazine, 2,5-dimethyl-3-pentyl- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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