Cas no 180135-95-9 (Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]-)
![Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/180500/180135-95-9x500.png)
180135-95-9 structure
Product Name:Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]-
CAS No:180135-95-9
MF:C18H16N2O
MW:276.332444190979
CID:1370923
PubChem ID:71353338
Update Time:2025-04-20
Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]-
- 2-[(6-butoxynaphthalen-2-yl)methylidene]propanedinitrile
- [(6-Butoxynaphthalen-2-yl)methylidene]propanedinitrile
- 180135-95-9
- DTXSID30778088
-
- Inchi： 1S/C18H16N2O/c1-2-3-8-21-18-7-6-16-10-14(4-5-17(16)11-18)9-15(12-19)13-20/h4-7,9-11H,2-3,8H2,1H3
- InChI Key： IUXUPWHAFVROHT-UHFFFAOYSA-N
- SMILES： O(C1C=CC2C=C(/C=C(\C#N)/C#N)C=CC=2C=1)CCCC
Computed Properties
- Exact Mass: 276.12638
- Monoisotopic Mass: 276.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 446
- 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: 4.5
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
Propanedinitrile, [(6-butoxy-2-naphthalenyl)methylene]- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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