Cas no 39961-72-3 (Propanamide, 2-hydroxy-N,2-dimethyl-)
39961-72-3 structure
Product Name:Propanamide, 2-hydroxy-N,2-dimethyl-
CAS No:39961-72-3
MF:C5H11NO2
MW:117.146341562271
CID:1511912
PubChem ID:547686
Update Time:2025-04-21
Propanamide, 2-hydroxy-N,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide, 2-hydroxy-N,2-dimethyl-
- 2-hydroxy-N,2-dimethylpropanamide
- VQMVAASPDIUGRC-UHFFFAOYSA-N
- 2-Hydroxy-N,2-dimethylpropanamide #
- DTXSID60338215
- AKOS006351692
- Butanamide, 2-hydroxy-2,N-dimethyl-
- 39961-72-3
- SCHEMBL537313
-
- Inchi: 1S/C5H11NO2/c1-5(2,8)4(7)6-3/h8H,1-3H3,(H,6,7)
- InChI Key: VQMVAASPDIUGRC-UHFFFAOYSA-N
- SMILES: OC(C(NC)=O)(C)C
Computed Properties
- Exact Mass: 117.07903
- Monoisotopic Mass: 117.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 98.6
- 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: -0.5
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
Propanamide, 2-hydroxy-N,2-dimethyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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