Cas no 921194-98-1 (1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]-)
![1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]- structure](https://ossimg.kuujia.com/scimg/921500/921194-98-1x500.png)
921194-98-1 structure
Product Name:1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]-
CAS No:921194-98-1
MF:C13H15ClN2O2
MW:266.723402261734
CID:745605
PubChem ID:68511211
Update Time:2025-04-19
1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]-
- 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylic acid
- SCHEMBL3098967
- DTXSID50738482
- UJEJRJFGCIBCLS-UHFFFAOYSA-N
- 6-Chloro-1-(2-dimethylamino-ethyl)-1H-indole-3-carboxylic acid
- 6-Chloro-1-[2-(dimethylamino)ethyl]-1H-indole-3-carboxylic acid
- 921194-98-1
-
- Inchi： 1S/C13H15ClN2O2/c1-15(2)5-6-16-8-11(13(17)18)10-4-3-9(14)7-12(10)16/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
- InChI Key： UJEJRJFGCIBCLS-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C(=O)O)=CN(C=2C=1)CCN(C)C
Computed Properties
- Exact Mass: 266.0822054g/mol
- Monoisotopic Mass: 266.0822054g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 311
- 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: -0.2
- Topological Polar Surface Area: 45.5?2
1H-Indole-3-carboxylic acid, 6-chloro-1-[2-(dimethylamino)ethyl]- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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