Cas no 496918-32-2 (Propanamide, compd. with acetonitrile (1:1))
496918-32-2 structure
Product Name:Propanamide, compd. with acetonitrile (1:1)
CAS No:496918-32-2
MF:C5H10N2O
MW:114.145700931549
CID:1537703
PubChem ID:71362543
Update Time:2025-04-21
Propanamide, compd. with acetonitrile (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanamide, compd. with acetonitrile (1:1)
- acetonitrile,propanamide
- 496918-32-2
- DTXSID10786161
- Propanamide--acetonitrile (1/1)
-
- Inchi： 1S/C3H7NO.C2H3N/c1-2-3(4)5;1-2-3/h2H2,1H3,(H2,4,5);1H3
- InChI Key： TZYWBTZPGJNGKG-UHFFFAOYSA-N
- SMILES： O=C(CC)N.N#CC
Computed Properties
- Exact Mass: 114.0794
- Monoisotopic Mass: 114.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 71.5
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- PSA: 66.88
Propanamide, compd. with acetonitrile (1:1) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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