Cas no 61808-07-9 (1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl-)
61808-07-9 structure
Product Name:1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl-
CAS No:61808-07-9
MF:C15H18N2O
MW:242.316223621368
CID:465580
PubChem ID:12329395
Update Time:2025-04-19
1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl-
- 3-[3-(2-cyanoethyl)-4-methoxy-2,6-dimethylphenyl]propanenitrile
- DTXSID90490239
- 61808-07-9
- 3,3'-(4-Methoxy-2,6-dimethyl-1,3-phenylene)dipropanenitrile
-
- Inchi： 1S/C15H18N2O/c1-11-10-15(18-3)14(7-5-9-17)12(2)13(11)6-4-8-16/h10H,4-7H2,1-3H3
- InChI Key： OFTRNIIDVISZOH-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C)C(CCC#N)=C(C)C=1CCC#N
Computed Properties
- Exact Mass: 242.14204
- Monoisotopic Mass: 242.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 348
- 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: 2.5
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
61808-07-9 (1,3-Benzenedipropanenitrile, 4-methoxy-2,6-dimethyl-) Related Products
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