Cas no 132367-97-6 (Tetradecanoic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester)
132367-97-6 structure
Product Name:Tetradecanoic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No:132367-97-6
MF:C20H35N3O4
MW:381.509605646133
CID:152916
PubChem ID:124100
Update Time:2025-04-19
Tetradecanoic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl tetradecanoate
- metronidazole myristate
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl tetradecanoate
- 132367-97-6
- Tetradecanoic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- DTXSID60157509
-
- Inchi： 1S/C20H35N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(24)27-16-15-22-18(2)21-17-19(22)23(25)26/h17H,3-16H2,1-2H3
- InChI Key： TZVOJNPVLIAXMB-UHFFFAOYSA-N
- SMILES： O(CCN1C(=CN=C1C)[N+](=O)[O-])C(CCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 381.26295
- Monoisotopic Mass: 381.263
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 415
- 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: 6.5
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- Density: 1.09
- Boiling Point: 523.1°Cat760mmHg
- Flash Point: 270.2°C
- Refractive Index: 1.523
- PSA: 87.26
Tetradecanoic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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