Basic information
- CAS
46738-98-1- Standard SMILES
CCOC(=O)c1cc(C[N+](C)(C)C)oc1C- InChIKey
FCULXGWQINGHAO-UHFFFAOYSA-N- Molecular formula
- C12H20NO3+
- Average molar mass
- 226.29 g/mol
- Monoisotopic mass
- 226.1443185
Names & identifiers
- Preferred name
- 2-Furanmethanaminium, 4-(ethoxycarbonyl)-N,N,N,5-tetramethyl-
- IUPAC
- (4-ethoxycarbonyl-5-methylfuran-2-yl)methyl-trimethylazanium
Names & synonyms
F1NW2ZG5O9UNII-F1NW2ZG5O92-Furanmethanaminium, 4-(ethoxycarbonyl)-N,N,N,5-tetramethyl-46738-98-1N-(3-Carbethoxy-2-methyl-5-furanmethyl)-N,N,N-trimethylammonium
Database identifiers
- CAS
46738-98-1- PubChem CID
- 425356
- UNII
- F1NW2ZG5O9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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