Cas no 133746-27-7 (2-Propanone, 1,1-iminobis- (9CI))
133746-27-7 structure
Product Name:2-Propanone, 1,1-iminobis- (9CI)
CAS No:133746-27-7
MF:C6H11NO2
MW:129.157041788101
CID:1019553
PubChem ID:19940200
Update Time:2025-04-20
2-Propanone, 1,1-iminobis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1,1-iminobis- (9CI)
- bis-(2-oxopropyl)amine
- 133746-27-7
- SCHEMBL690784
- 1-(2-Oxopropylamino)propan-2-one
- AKOS025287643
-
- Inchi： 1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7H,3-4H2,1-2H3
- InChI Key： KECXIBBXMHHSAL-UHFFFAOYSA-N
- SMILES： O=C(C)CNCC(C)=O
Computed Properties
- Exact Mass: 129.07903
- Monoisotopic Mass: 129.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 106
- 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: -0.7
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
2-Propanone, 1,1-iminobis- (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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