Cas no 78159-37-2 (2-Azetidinone, 1-(phenylmethyl)-4-propyl-)
78159-37-2 structure
Product Name:2-Azetidinone, 1-(phenylmethyl)-4-propyl-
CAS No:78159-37-2
MF:C13H17NO
MW:203.280183553696
CID:534946
PubChem ID:13200150
Update Time:2025-04-19
2-Azetidinone, 1-(phenylmethyl)-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Azetidinone, 1-(phenylmethyl)-4-propyl-
- 1-benzyl-4-propylazetidin-2-one
- 78159-37-2
- DTXSID20526954
-
- Inchi： 1S/C13H17NO/c1-2-6-12-9-13(15)14(12)10-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
- InChI Key： MOMBUUOXMDOYOY-UHFFFAOYSA-N
- SMILES： O=C1CC(CCC)N1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 203.131014166g/mol
- Monoisotopic Mass: 203.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 20.3?2
2-Azetidinone, 1-(phenylmethyl)-4-propyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
78159-37-2 (2-Azetidinone, 1-(phenylmethyl)-4-propyl-) Related Products
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