Cas no 1131587-29-5 (Ethyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate)
1131587-29-5 structure
Product Name:Ethyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate
CAS No:1131587-29-5
MF:C14H19IN2O2
MW:374.217335939407
CID:1030694
PubChem ID:44829051
Update Time:2025-04-20
Ethyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate
- A802748
- AK133659
- CTK8E2007
- ethyl 5-iodanyl-2-(4-methylpiperazin-1-yl)benzoate
- FT-0657428
- KB-145529
- AKOS015843425
- 5-iodo-2-(4-methyl-1-piperazinyl)benzoic acid ethyl ester
- DTXSID80661138
- DB-060286
- 1131587-29-5
-
- Inchi： 1S/C14H19IN2O2/c1-3-19-14(18)12-10-11(15)4-5-13(12)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9H2,1-2H3
- InChI Key： CQXDMTSXNJVBDI-UHFFFAOYSA-N
- SMILES： IC1C=CC(=C(C(=O)OCC)C=1)N1CCN(C)CC1
Computed Properties
- Exact Mass: 374.04913g/mol
- Monoisotopic Mass: 374.04913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 306
- 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: 2.7
- Topological Polar Surface Area: 32.8?2
Ethyl 5-iodo-2-(4-methylpiperazin-1-yl)benzoate Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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