Cas no 101952-76-5 (3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI))
101952-76-5 structure
Product Name:3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI)
CAS No:101952-76-5
MF:C16H16N2O4
MW:300.309244155884
CID:147642
PubChem ID:59189
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI)
- 4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate
- BRN 0280495
- butane-1,4-diyl dipyridine-3-carboxylate
- Nicotinic acid, tetramethylene ester
- Tetramethylene nicotinate
- Butane-1,4-diyl dinicotinate
- Butane-1,4-diyl bis(pyridine-3-carboxylate)
- 101952-76-5
- SCHEMBL21243071
- DTXSID30144426
-
- Inchi： 1S/C16H16N2O4/c19-15(13-5-3-7-17-11-13)21-9-1-2-10-22-16(20)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2
- InChI Key： PPJDCSQLKYABRQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=CC=1)=O)CCCCOC(C1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 300.11108
- Monoisotopic Mass: 300.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 328
- 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: 2.2
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.38
3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
101952-76-5 (3-Pyridinecarboxylicacid, 1,4-butanediyl ester (9CI)) Related Products
- 23597-82-2(Hexyl Nicotinoate)
- 6938-06-3(Butyl Pyridine-3-carboxylate)
- 614-18-6(ethyl pyridine-3-carboxylate)
- 553-60-6(propan-2-yl pyridine-3-carboxylate)
- 13912-80-6(Nicoboxil)
- 3612-78-0(3-Pyridinecarboxylicacid, dodecyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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