Cas no 59658-60-5 (Propanamide, 2-(acetylamino)-N-(1-methylethyl)-, (S)-)
59658-60-5 structure
Product Name:Propanamide, 2-(acetylamino)-N-(1-methylethyl)-, (S)-
CAS No:59658-60-5
MF:C8H16N2O2
MW:172.224842071533
CID:337910
PubChem ID:58709561
Update Time:2025-04-19
Propanamide, 2-(acetylamino)-N-(1-methylethyl)-, (S)- Chemical and Physical Properties
Names and Identifiers
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- Propanamide, 2-(acetylamino)-N-(1-methylethyl)-, (S)-
- (2S)-2-acetamido-N-propan-2-ylpropanamide
- N~2~-Acetyl-N-propan-2-yl-L-alaninamide
- DTXSID40729723
- 59658-60-5
-
- Inchi： 1S/C8H16N2O2/c1-5(2)9-8(12)6(3)10-7(4)11/h5-6H,1-4H3,(H,9,12)(H,10,11)/t6-/m0/s1
- InChI Key： DEGVNVNZAJUJPZ-LURJTMIESA-N
- SMILES： O=C([C@H](C)NC(C)=O)NC(C)C
Computed Properties
- Exact Mass: 172.12128
- Monoisotopic Mass: 172.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Propanamide, 2-(acetylamino)-N-(1-methylethyl)-, (S)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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