Cas no 194496-74-7 (Benzonitrile, 4-(didecylamino)-)
194496-74-7 structure
Product Name:Benzonitrile, 4-(didecylamino)-
CAS No:194496-74-7
MF:C27H46N2
MW:398.667547702789
CID:1387055
PubChem ID:20743162
Update Time:2025-04-20
Benzonitrile, 4-(didecylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(didecylamino)-
- 4-(didecylamino)benzonitrile
- 194496-74-7
- DTXSID60609573
- SCHEMBL14454643
-
- Inchi： 1S/C27H46N2/c1-3-5-7-9-11-13-15-17-23-29(27-21-19-26(25-28)20-22-27)24-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-24H2,1-2H3
- InChI Key： UENVJSGZXSHJCT-UHFFFAOYSA-N
- SMILES： N(C1C=CC(C#N)=CC=1)(CCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 398.36638
- Monoisotopic Mass: 398.366099476g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 19
- Complexity: 369
- 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: 10.8
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.03
Benzonitrile, 4-(didecylamino)- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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