Cas no 10147-03-2 (Propanedinitrile,2-(4-quinolinyl)-)
10147-03-2 structure
Product Name:Propanedinitrile,2-(4-quinolinyl)-
CAS No:10147-03-2
MF:C12H7N3
MW:193.204081773758
CID:222752
PubChem ID:286354
Update Time:2025-04-19
Propanedinitrile,2-(4-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-(4-quinolinyl)-
- 2-quinolin-4-ylpropanedinitrile
- 4-Quinolinemalononitrile
- AC1L6519
- AC1Q4QGS
- AR-1G4595
- CTK3J9819
- NSC144434
- 10147-03-2
- CHEMBL1878618
- DTXSID30301572
- SMR001798213
- NSC-144434
- MLS002920626
-
- Inchi： 1S/C12H7N3/c13-7-9(8-14)10-5-6-15-12-4-2-1-3-11(10)12/h1-6,9H
- InChI Key： ZABPVUGLNITOEY-UHFFFAOYSA-N
- SMILES： N1C=CC(C(C#N)C#N)=C2C=CC=CC=12
Computed Properties
- Exact Mass: 193.06411
- Monoisotopic Mass: 193.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 302
- 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: 60.5?2
Experimental Properties
- Density: 1.257
- Boiling Point: 396.3°C at 760 mmHg
- Flash Point: 132.7°C
- Refractive Index: 1.652
- PSA: 60.47
- LogP: 2.36556
Propanedinitrile,2-(4-quinolinyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
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
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
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
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