Basic information
- CAS
84714-21-6- Standard SMILES
COc1cc(C=O)ccc1OCC(O)C[N+](C)(C)C.[Cl-]- InChIKey
OVKMEDHAOFFOLT-UHFFFAOYSA-M- Molecular formula
- C14H22ClNO4
- Average molar mass
- 303.78 g/mol
- Monoisotopic mass
- 303.1237359
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-(4-formyl-2-methoxyphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
- IUPAC
- [3-(4-formyl-2-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium chloride
Names & synonyms
1-Propanaminium, 3-(4-formyl-2-methoxyphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride84714-21-61-Propanaminium, 3-(4-formyl-2-methoxyphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)DTXSID20888620RefChem:77078DTXCID101027896SCHEMBL11270564OVKMEDHAOFFOLT-UHFFFAOYSA-M3-(4-Formyl-2-methoxyphenoxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
Database identifiers
- CAS
84714-21-6- PubChem CID
- 174376
- DTXSID
DTXSID20888620
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 3-(4-formyl-2-methoxyphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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