Cas no 828275-54-3 (3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1))
828275-54-3 structure
Product Name:3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1)
CAS No:828275-54-3
MF:C9H14N2O4
MW:214.218462467194
CID:681457
PubChem ID:12143962
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1) Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1)
- 3-aminopropan-1-ol,5-hydroxypyridine-3-carboxylic acid
- 828275-54-3
- DTXSID20478505
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- Inchi： 1S/C6H5NO3.C3H9NO/c8-5-1-4(6(9)10)2-7-3-5;4-2-1-3-5/h1-3,8H,(H,9,10);5H,1-4H2
- InChI Key： BUNZTADTZVHLKT-UHFFFAOYSA-N
- SMILES： OCCCN.OC1=CN=CC(C(=O)O)=C1
Computed Properties
- Exact Mass: 214.09535693g/mol
- Monoisotopic Mass: 214.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 153
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 117?2
3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1) Related Literature
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1. Agricultural
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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