Cas no 14003-22-6 (Propanedinitrile,2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)-)
14003-22-6 structure
Product Name:Propanedinitrile,2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)-
CAS No:14003-22-6
MF:C14H12N2
MW:208.258482933044
CID:232762
PubChem ID:268919
Update Time:2025-04-19
Propanedinitrile,2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)-
- 2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)propanedinitrile
- 5-dicyanomethylene-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
- 6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile
- AC1L6LAU
- AC1Q4PZT
- AG-J-48370
- AR-1H0299
- benzosuberylidenemalononitrile
- CTK4C2044
- NSC109409
- DTXSID50296451
- 14003-22-6
- NSC-109409
-
- Inchi： 1S/C14H12N2/c15-9-12(10-16)14-8-4-2-6-11-5-1-3-7-13(11)14/h1,3,5,7H,2,4,6,8H2
- InChI Key： VLIQAYMQCGCZLK-UHFFFAOYSA-N
- SMILES： N#C/C(/C#N)=C1\C2C=CC=CC=2CCCC\1
Computed Properties
- Exact Mass: 208.10016
- Monoisotopic Mass: 208.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- 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: 3
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- Density: 1.14
- Boiling Point: 380.2°Cat760mmHg
- Flash Point: 181.6°C
- Refractive Index: 1.581
- PSA: 47.58
- LogP: 3.21376
Propanedinitrile,2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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