Cas no 93101-56-5 (3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1))
93101-56-5 structure
Product Name:3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1)
CAS No:93101-56-5
MF:C10H18ClNO2
MW:219.70842218399
CID:812337
PubChem ID:56546
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1)
- ethyl 1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate,chloride
- NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1,4-DIMETHYL-, ETHYL ESTER, HYDROCHLORIDE
- Ethyl 1,4-dimethyl-1,2,5,6-tetrahydronicotinate hydrochloride
- 93101-56-5
-
- Inchi： 1S/C10H17NO2.ClH/c1-4-13-10(12)9-7-11(3)6-5-8(9)2;/h4-7H2,1-3H3;1H
- InChI Key： OKJAULUGMGEONM-UHFFFAOYSA-N
- SMILES： [Cl-].O(CC)C(C1=C(C)CC[NH+](C)C1)=O
Computed Properties
- Exact Mass: 219.1026065g/mol
- Monoisotopic Mass: 219.1026065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 30.7?2
3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1) Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
93101-56-5 (3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (1:1)) Related Products
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