Cas no 74050-95-6 (3-(butylcarbamoyl)pyridine-2-carboxylic acid)
74050-95-6 structure
Product Name:3-(butylcarbamoyl)pyridine-2-carboxylic acid
CAS No:74050-95-6
MF:C11H14N2O3
MW:222.240462779999
CID:563966
PubChem ID:3057510
Update Time:2025-04-19
3-(butylcarbamoyl)pyridine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(butylcarbamoyl)pyridine-2-carboxylic acid
- 4(3)-Pyridinecarboxylic acid, 3(4)-butylcarbamoyl-
- 3(4)-N-Butylformamido-4(3)-carboxypyridine
- DTXSID90224950
- 74050-95-6
- 3(4)-Butylcarbamoyl-4(3)-pyridinecarboxylic acid
-
- Inchi： 1S/C11H14N2O3/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)(H,15,16)
- InChI Key： XRPGXQWZJXPJHN-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CN=C1C(=O)O)NCCCC
Computed Properties
- Exact Mass: 222.1
- Monoisotopic Mass: 222.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 256
- 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: 1.2
- Topological Polar Surface Area: 79.3?2
Experimental Properties
- Density: 1.2
- Boiling Point: 453.4°C at 760 mmHg
- Flash Point: 228°C
- Refractive Index: 1.548
3-(butylcarbamoyl)pyridine-2-carboxylic acid Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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