Cas no 64274-61-9 (Cyclopropaneacetamide, N-(cyclopropylmethyl)-)
64274-61-9 structure
Product Name:Cyclopropaneacetamide, N-(cyclopropylmethyl)-
CAS No:64274-61-9
MF:C9H15NO
MW:153.221502542496
CID:1681246
Update Time:2024-09-03
Cyclopropaneacetamide, N-(cyclopropylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclopropaneacetamide, N-(cyclopropylmethyl)-
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- Inchi： 1S/C9H15NO/c11-9(5-7-1-2-7)10-6-8-3-4-8/h7-8H,1-6H2,(H,10,11)
- InChI Key： DLUAXTLNOWIBHQ-UHFFFAOYSA-N
- SMILES： C1(CC(NCC2CC2)=O)CC1
Computed Properties
- Exact Mass: 153.11545
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 159
- 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
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- Density: 1.075±0.06 g/cm3(Predicted)
- Boiling Point: 318.1±11.0 °C(Predicted)
- PSA: 29.1
- pka: 16.29±0.46(Predicted)
Cyclopropaneacetamide, N-(cyclopropylmethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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