Cas no 59431-11-7 ()
structure
Product Name:
CAS No:59431-11-7
MF:C5H11N2
MW:99.1542408466339
CID:2834172
PubChem ID:201602
Update Time:2025-04-21
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C5H11N2/c1-7(2,3)5-4-6/h5H2,1-3H3/q+1
- InChI Key： FCFDNBCKGVPNOG-UHFFFAOYSA-N
- SMILES： [N+](C)(C)(C)CC#N
Computed Properties
- Exact Mass: 99.092223359Da
- Monoisotopic Mass: 99.092223359Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 90.4
- 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: 0.1
- Topological Polar Surface Area: 23.8?2
Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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5. 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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