Cas no 22342-18-3 (1-Pentanone,1-(4-morpholinyl)-)
22342-18-3 structure
Product Name:1-Pentanone,1-(4-morpholinyl)-
CAS No:22342-18-3
MF:C9H17NO2
MW:171.23678278923
CID:279107
PubChem ID:304104
Update Time:2025-04-19
1-Pentanone,1-(4-morpholinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,1-(4-morpholinyl)-
- 1-morpholin-4-ylpentan-1-one
- 1-(morpholin-4-yl)pentan-1-one
- 4-(1-oxopentyl)morpholine
- 4-pentanoyl-morpholine
- 4-Valeryl-morpholin
- 4-valeryl-morpholine
- AC1L7481
- NSC195033
- Pentanoic acid, morpholide
- STK182235
- SureCN253804
- Valeriansaeure-morpholid
- AASPBTJOWALDEO-UHFFFAOYSA-N
- NSC-195033
- SCHEMBL253804
- AKOS003847094
- 1-morpholinopentan-1-one
- DTXSID80307781
- 1-MORPHOLINO-1-PENTANONE
- 22342-18-3
-
- Inchi： 1S/C9H17NO2/c1-2-3-4-9(11)10-5-7-12-8-6-10/h2-8H2,1H3
- InChI Key： AASPBTJOWALDEO-UHFFFAOYSA-N
- SMILES： O1CCN(C(CCCC)=O)CC1
Computed Properties
- Exact Mass: 171.12601
- Monoisotopic Mass: 171.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 142
- 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: 29.5?2
Experimental Properties
- Density: 1.011
- Boiling Point: 298.3°Cat760mmHg
- Flash Point: 134.2°C
- Refractive Index: 1.463
- PSA: 29.54
- LogP: 0.97330
1-Pentanone,1-(4-morpholinyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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