Cas no 46273-39-6 (2-Quinolin-1-ium-1-ylacetic acid;chloride)
46273-39-6 structure
Product Name:2-Quinolin-1-ium-1-ylacetic acid;chloride
CAS No:46273-39-6
MF:C11H10ClNO2
MW:223.655601978302
CID:2626538
PubChem ID:12208786
Update Time:2025-04-21
2-Quinolin-1-ium-1-ylacetic acid;chloride Chemical and Physical Properties
Names and Identifiers
-
- SureCN770144; STOCK2S-26623; STK563877; CTK7J4976; AC1LR3J5; 1-Carboxymethyl-5-joduracil; (5-Iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid; 5-iodouracil-1-ylacetic acid; Oprea1_378104; 1-carboxymethyl-5-iodouracil; BAS 03154764; (5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid; 1-Carboxymethyl-chinolinium, Chlorid; (5-iodouracil-1-yl)acetic acid; 1-carboxymethyl-quinolinium, chloride;
- SCHEMBL9010947
- NSC54303
- NSC-54303
- 46273-39-6
- 2-Quinolin-1-ium-1-ylacetic acid;chloride
-
- Inchi： 1S/C11H9NO2.ClH/c13-11(14)8-12-7-3-5-9-4-1-2-6-10(9)12;/h1-7H,8H2;1H
- InChI Key： PEFQBNZAOIYGIL-UHFFFAOYSA-N
- SMILES： [Cl-].OC(C[N+]1C=CC=C2C=CC=CC=12)=O
Computed Properties
- Exact Mass: 223.04000
- Monoisotopic Mass: 223.0400063Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 217
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.2?2
Experimental Properties
- PSA: 41.18000
- LogP: -1.78410
2-Quinolin-1-ium-1-ylacetic acid;chloride Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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