Cas no 1131614-97-5 (3-Iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid)
1131614-97-5 structure
Product Name:3-Iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid
CAS No:1131614-97-5
MF:C14H19IN2O2
MW:374.217335939407
CID:1030571
PubChem ID:44828859
Update Time:2025-04-20
3-Iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid
- 3-iodo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid
- A802939
- AK133793
- CTK8E2189
- FT-0652228
- I14-5369
- KB-145102
- AKOS015841748
- 1131614-97-5
- DTXSID20660948
- 3-Iodo-4-[4-(propan-2-yl)piperazin-1-yl]benzoic acid
- DB-060457
-
- Inchi： 1S/C14H19IN2O2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14(18)19)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
- InChI Key： KNGQYPIIILLTNZ-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)O)C=CC=1N1CCN(C(C)C)CC1
Computed Properties
- Exact Mass: 374.04913g/mol
- Monoisotopic Mass: 374.04913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 317
- 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: 0.6
- Topological Polar Surface Area: 43.8?2
3-Iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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