Basic information
- CAS
108367-25-5- Standard SMILES
CC[NH+](CC)CC(OC(=O)c1cc[nH+]cc1)c1ccccc1.[Cl-].[Cl-]- InChIKey
XOEAGJVQWNQRGI-UHFFFAOYSA-N- Molecular formula
- C18H24Cl2N2O2
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.1214834
Names & identifiers
- Preferred name
- 2-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
- IUPAC
- diethyl-[2-phenyl-2-(pyridin-1-ium-4-carbonyloxy)ethyl]azanium dichloride
Names & synonyms
108367-25-5DTXSID709107032-(Diethylamino)-1-phenylethyl pyridine-4-carboxylate--hydrogen chloride (1/2)RefChem:1061567DTXCID701339748ISONICOTINIC ACID, alpha-((DIETHYLAMINO)METHYL)BENZYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
108367-25-5- PubChem CID
- 60243
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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