Cas no 2813-72-1 (3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester)
![3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/3000/2813-72-1x500.png)
2813-72-1 structure
Product Name:3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester
CAS No:2813-72-1
MF:C14H20N4O2
MW:276.334202766418
CID:256363
PubChem ID:76055
Update Time:2025-04-19
3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester
- methyl 3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylate
- Methyl 3-[2-(diethylamino)ethyl]-3H-imidazo[4,5-b]pyridine-6-carboxylate
- 2813-72-1
- Imidazo(4,5-b)pyridine-6-carboxylic acid, 3-(2-diethylaminoethyl)-, methyl ester
- DTXSID10182407
- 3-(2-Diethylaminoethyl)imidazo(4,5-b)pyridine-6-carboxylic acid, methyl ester
- BRN 0818696
-
- Inchi： 1S/C14H20N4O2/c1-4-17(5-2)6-7-18-10-16-12-8-11(14(19)20-3)9-15-13(12)18/h8-10H,4-7H2,1-3H3
- InChI Key： MTRVCBHDVRYUTK-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN=C2C(=C1)N=CN2CCN(CC)CC)=O
Computed Properties
- Exact Mass: 276.1588
- Monoisotopic Mass: 276.159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 322
- 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
- Topological Polar Surface Area: 60.2A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.18
- Boiling Point: 399.3°C at 760 mmHg
- Flash Point: 195.3°C
- Refractive Index: 1.58
- PSA: 60.25
3H-Imidazo[4,5-b]pyridine-6-carboxylicacid, 3-[2-(diethylamino)ethyl]-, methyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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