Cas no 414868-41-0 (1-Ethyl-4-(hydroxymethyl)pyridin-1-ium)
414868-41-0 structure
Product Name:1-Ethyl-4-(hydroxymethyl)pyridin-1-ium
CAS No:414868-41-0
MF:C8H12NO
MW:138.186982154846
CID:5735724
PubChem ID:66645961
Update Time:2024-03-01
1-Ethyl-4-(hydroxymethyl)pyridin-1-ium Chemical and Physical Properties
Names and Identifiers
-
- 414868-41-0
- 1-Ethyl-4-(hydroxymethyl)pyridin-1-ium
- SCHEMBL294241
-
- Inchi： 1S/C8H12NO/c1-2-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3/q+1
- InChI Key： FKJQPYXDRHECKG-UHFFFAOYSA-N
- SMILES： OCC1C=C[N+](=CC=1)CC
Computed Properties
- Exact Mass: 138.091889006g/mol
- Monoisotopic Mass: 138.091889006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 87.3
- 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: 0.4
- Topological Polar Surface Area: 24.1?2
1-Ethyl-4-(hydroxymethyl)pyridin-1-ium Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
414868-41-0 (1-Ethyl-4-(hydroxymethyl)pyridin-1-ium) Related Products
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