Basic information
- CAS
79143-72-9- Standard SMILES
CC[N+](CC)(CC(N)=O)CC(=O)Nc1c(C)cc(C)cc1C.[Cl-]- InChIKey
HHYQYVDTVGKRLX-UHFFFAOYSA-N- Molecular formula
- C17H28ClN3O2
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1870048
Names & identifiers
- Preferred name
- Ethanaminium, 2-amino-N,N-diethyl-2-oxo-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-, chloride
- IUPAC
- (2-amino-2-oxoethyl)-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium chloride
Names & synonyms
ZH-111Ethanaminium, 2-amino-N,N-diethyl-2-oxo-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-, chloride79143-72-9RefChem:339951SCHEMBL30001238
Database identifiers
- CAS
79143-72-9- PubChem CID
- 54348
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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