Cas no 53897-27-1 (Butanamide, 4-cyano-)
Butanamide, 4-cyano- structure
Product Name:Butanamide, 4-cyano-
CAS No:53897-27-1
MF:C5H8N2O
MW:112.129820823669
CID:356106
PubChem ID:534243
Update Time:2025-04-19
Butanamide, 4-cyano- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, 4-cyano-
- 4-cyanobutanamide
- AKOS006340723
- SCHEMBL3106710
- 4-Cyano-butanamide
- 4-Cyanobutyramide
- 53897-27-1
- DTXSID60336514
- NHMAWNBVHVQDPU-UHFFFAOYSA-N
-
- Inchi： 1S/C5H8N2O/c6-4-2-1-3-5(7)8/h1-3H2,(H2,7,8)
- InChI Key： NHMAWNBVHVQDPU-UHFFFAOYSA-N
- SMILES： O=C(CCCC#N)N
Computed Properties
- Exact Mass: 112.06374
- Monoisotopic Mass: 112.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 122
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.9
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- PSA: 66.88
Butanamide, 4-cyano- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
53897-27-1 (Butanamide, 4-cyano-) Related Products
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