Cas no 162377-66-4 (Benzonitrile, 4-(1-azetidinyl)-)
162377-66-4 structure
Product Name:Benzonitrile, 4-(1-azetidinyl)-
CAS No:162377-66-4
MF:C10H10N2
MW:158.199801921844
CID:1342446
PubChem ID:70080346
Update Time:2025-04-20
Benzonitrile, 4-(1-azetidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(1-azetidinyl)-
- 4-(azetidin-1-yl)benzonitrile
- A1-43286
- SCHEMBL7402909
- DTXSID40741667
- 4-(azetidinyl) benzonitrile
- 162377-66-4
-
- Inchi： 1S/C10H10N2/c11-8-9-2-4-10(5-3-9)12-6-1-7-12/h2-5H,1,6-7H2
- InChI Key： KVOXUIQIFQLPFA-UHFFFAOYSA-N
- SMILES： N1(C2C=CC(C#N)=CC=2)CCC1
Computed Properties
- Exact Mass: 158.0845
- Monoisotopic Mass: 158.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 191
- 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: 27?2
Experimental Properties
- PSA: 27.03
Benzonitrile, 4-(1-azetidinyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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