Cas no 7596-98-7 (2-cyano-2-propan-2-ylpentanamide)
7596-98-7 structure
Product Name:2-cyano-2-propan-2-ylpentanamide
CAS No:7596-98-7
MF:C9H16N2O
MW:168.236142158508
CID:982241
PubChem ID:347408
Update Time:2025-04-19
2-cyano-2-propan-2-ylpentanamide Chemical and Physical Properties
Names and Identifiers
-
- 2-cyano-2-propan-2-ylpentanamide
- NSC406071
- NSC-406071
- 7596-98-7
- 2-Cyano-2-(propan-2-yl)pentanamide
- DTXSID00324233
-
- Inchi： 1S/C9H16N2O/c1-4-5-9(6-10,7(2)3)8(11)12/h7H,4-5H2,1-3H3,(H2,11,12)
- InChI Key： AQLPSNIJJUKTEI-UHFFFAOYSA-N
- SMILES： O=C(C(C#N)(CCC)C(C)C)N
Computed Properties
- Exact Mass: 168.12638
- Monoisotopic Mass: 168.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- PSA: 66.88
2-cyano-2-propan-2-ylpentanamide Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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