Cas no 796870-47-8 (1H-Indole-2-carboxylic acid, 5-(dimethylamino)-)
796870-47-8 structure
Product Name:1H-Indole-2-carboxylic acid, 5-(dimethylamino)-
CAS No:796870-47-8
MF:C11H12N2O2
MW:204.225182533264
CID:532429
PubChem ID:21276071
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-(dimethylamino)-
- 5-(dimethylamino)-1H-indole-2-carboxylic acid
- SCHEMBL1476670
- UVBBANUSSFCBLR-UHFFFAOYSA-N
- DTXSID10611888
- 5-Dimethylaminoindole-2-carboxylic acid
- 796870-47-8
-
- Inchi： 1S/C11H12N2O2/c1-13(2)8-3-4-9-7(5-8)6-10(12-9)11(14)15/h3-6,12H,1-2H3,(H,14,15)
- InChI Key： UVBBANUSSFCBLR-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=C(C=CC=2N1)N(C)C)=O
Computed Properties
- Exact Mass: 204.089877630g/mol
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 2.4
- Topological Polar Surface Area: 56.3?2
1H-Indole-2-carboxylic acid, 5-(dimethylamino)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
796870-47-8 (1H-Indole-2-carboxylic acid, 5-(dimethylamino)-) Related Products
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