Basic information
- CAS
152-13-6- Standard SMILES
CC[N+](CC)(CC)c1cccc(O)c1- InChIKey
CYKLMMLDTNBEGG-UHFFFAOYSA-O- Molecular formula
- C12H20NO+
- Average molar mass
- 194.29 g/mol
- Monoisotopic mass
- 194.15448926
Overview
antagonist of cholinergic receptors in rat diaphragm; RN given refers to parent cpd
Names & identifiers
- Preferred name
- N,N,N-triethyl-3-hydroxybenzenaminium
- IUPAC
- triethyl-(3-hydroxyphenyl)azanium
Names & synonyms
3-Hydroxyphenyltriethylammonium152-13-6N,N,N-Triethyl-3-hydroxybenzenaminiumDTXSID10164925RefChem:94377DTXCID8087416triethyl-(3-hydroxyphenyl)azaniumSCHEMBL4611780N,N,N-Triethyl-3-hydroxyanilinium
Database identifiers
- CAS
152-13-6- PubChem CID
- 33682
- DTXSID
DTXSID10164925- Nikkaji
- J209.353G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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