Cas no 10367-88-1 (Benzoic acid,3-methyl-, 2-(diethylamino)ethyl ester)
10367-88-1 structure
Product Name:Benzoic acid,3-methyl-, 2-(diethylamino)ethyl ester
CAS No:10367-88-1
MF:C14H21NO2
MW:235.32204413414
CID:118561
PubChem ID:215968
Update Time:2025-04-18
Benzoic acid,3-methyl-, 2-(diethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methyl-, 2-(diethylamino)ethyl ester
- m-Toluicacid, 2-(diethylamino)ethyl ester (7CI,8CI)
- 2-(diethylamino)ethyl 3-methylbenzoate
- 3-Methyl-benzoic acid, 2-diethylaminoethyl ester
- NHHMPVPZDJSKJU-UHFFFAOYSA-N
- DTXSID00276905
- 10367-88-1
- 2-(Diethylamino)ethyl 3-methylbenzoate #
-
- Inchi： 1S/C14H21NO2/c1-4-15(5-2)9-10-17-14(16)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
- InChI Key： NHHMPVPZDJSKJU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C)C=1)=O)CCN(CC)CC
Computed Properties
- Exact Mass: 235.15733
- Monoisotopic Mass: 235.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 226
- 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: 3.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
- LogP: 2.49360
Benzoic acid,3-methyl-, 2-(diethylamino)ethyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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