Cas no 144436-24-8 (Benzonitrile, 3-(diethylamino)-)
144436-24-8 structure
Product Name:Benzonitrile, 3-(diethylamino)-
CAS No:144436-24-8
MF:C11H14N2
MW:174.242262363434
CID:1314950
PubChem ID:18979720
Update Time:2025-04-20
Benzonitrile, 3-(diethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(diethylamino)-
- 3-(Diethylamino)benzonitrile
- 144436-24-8
- SCHEMBL8650222
- AKOS017459028
-
- Inchi： 1S/C11H14N2/c1-3-13(4-2)11-7-5-6-10(8-11)9-12/h5-8H,3-4H2,1-2H3
- InChI Key： GWDBNEGVXKROFM-UHFFFAOYSA-N
- SMILES： N(C1C=CC=C(C#N)C=1)(CC)CC
Computed Properties
- Exact Mass: 174.11582
- Monoisotopic Mass: 174.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 2.5
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.03
Benzonitrile, 3-(diethylamino)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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