Cas no 7461-85-0 (4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile)
7461-85-0 structure
Product Name:4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile
CAS No:7461-85-0
MF:C18H19N3O
MW:293.362963914871
CID:979490
PubChem ID:24046
Update Time:2025-04-19
4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile
- 4-(2-Cyan-aethyl)-4-p-toluoyl-heptandinitril
- 4-(2-cyano-ethyl)-4-p-toluoyl-heptanedinitrile
- 4-(2-Cyanoethyl)-4-p-toluoylheptanedinitrile
- 4-(p-methyl)benzoyl-4-(2-cyanoethyl)heptanedinitrile
- 4-(p-methyl-benzoyl)-4-(2-cyanoethyl)heptanedinitrile
- AC1L2N67
- BRN 3386692
- Heptanedinitrile, 4-(2-cyanoethyl)-4-(4-methylbenzoyl)-
- Heptanedinitrile, 4-(2-cyanoethyl)-4-(p-toluoyl)-
- HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-
- NSC404116
- DTXSID20225596
- 7461-85-0
- PROPIONITRILE, .BETA.,.BETA.',.BETA.''-(P-TOLUYLMETHYLIDYNE)TRI-
- 6GKF8CD7ZO
- NSC-404116
- WLN: NC2X2CN&2CN&VR D1
- UNII-6GKF8CD7ZO
- NSC 404116
- 3-10-00-04132 (Beilstein Handbook Reference)
-
- Inchi： 1S/C18H19N3O/c1-15-5-7-16(8-6-15)17(22)18(9-2-12-19,10-3-13-20)11-4-14-21/h5-8H,2-4,9-11H2,1H3
- InChI Key： FEGPPHGAJSUBAE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C(CCC#N)(CCC#N)CCC#N
Computed Properties
- Exact Mass: 293.15297
- Monoisotopic Mass: 293.152812238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 466
- 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: 1.9
- Topological Polar Surface Area: 88.4?2
Experimental Properties
- PSA: 88.44
4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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