Ammonium, diethyl(2-propynyl)(((2,4,6-trimethylphenyl)carbamoyl)methyl)-
Basic information
- CAS
84213-92-3- Standard SMILES
C#CC[N+](CC)(CC)CC(=O)Nc1c(C)cc(C)cc1C- InChIKey
QUCJYMNWIXLYAD-UHFFFAOYSA-O- Molecular formula
- C18H27N2O+
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.21233849
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-propynyl)(((2,4,6-trimethylphenyl)carbamoyl)methyl)-
- IUPAC
- diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-prop-2-ynylazanium
Names & synonyms
84213-92-3Diethyl(2-propynyl)(((2,4,6-trimethylphenyl)carbamoyl)methyl)ammoniumAMMONIUM, DIETHYL(2-PROPYNYL)(((2,4,6-TRIMETHYLPHENYL)CARBAMOYL)METHYL)-DTXSID20233136RefChem:319243DTXCID201556272-Propyn-1-aminium, N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-(10CI)N,N-Diethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-yn-1-aminium2-Propyn-1-aminium, N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-
Database identifiers
- CAS
84213-92-3- PubChem CID
- 55209
- DTXSID
DTXSID20233136
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 379
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Compound notes
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