Cas no 1131614-96-4 (Ethyl 3-iodo-4-(4-methylpiperazin-1-yl)benzoate)
1131614-96-4 structure
Product Name:Ethyl 3-iodo-4-(4-methylpiperazin-1-yl)benzoate
CAS No:1131614-96-4
MF:C14H19IN2O2
MW:374.217335939407
CID:1030572
PubChem ID:44829068
Update Time:2025-04-20
Ethyl 3-iodo-4-(4-methylpiperazin-1-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-iodo-4-(4-methylpiperazin-1-yl)benzoate
- A802938
- AK133792
- CTK8E2188
- ethyl 3-iodanyl-4-(4-methylpiperazin-1-yl)benzoate
- FT-0659008
- KB-145492
- DB-060456
- DTXSID00661155
- 1131614-96-4
- 3-iodo-4-(4-methyl-1-piperazinyl)benzoic acid ethyl ester
- AKOS015843509
-
- Inchi： 1S/C14H19IN2O2/c1-3-19-14(18)11-4-5-13(12(15)10-11)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9H2,1-2H3
- InChI Key： BTRPCLSTPHAKGC-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)OCC)C=CC=1N1CCN(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 3-iodo-4-(4-methylpiperazin-1-yl)benzoate Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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