Basic information
- CAS
55340-64-2- Standard SMILES
CNC(C)C(OP(=O)(O)O)c1ccccc1- InChIKey
NHCPYBTZNTVGGP-UHFFFAOYSA-N- Molecular formula
- C10H16NO4P
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 245.08169499
Overview
RN given refers to cpd with unspecified isomeric designation
Names & identifiers
- Preferred name
- Ephedrine phosphate
- IUPAC
- [2-(methylamino)-1-phenylpropyl] dihydrogen phosphate
- English name
- ephedrine phosphate
- Molecular formula
- C10H16NO4P
- Molecular weight
- 245.21
Names & synonyms
PhosphorylephedrineEphedrine phosphate55340-64-2RefChem:1370912-(methylamino)-1-phenylpropyl dihydrogen phosphateSCHEMBL4918156DTXSID20970690Benzenemethanol, alpha-(1-(methylamino)ethyl)-, dihydrogen phosphate (ester)Benzenemethanol, α-[1-(methylamino)ethyl]-, dihydrogen phosphate (ester) (9CI)
Database identifiers
- CAS
55340-64-2- PubChem CID
- 71287
- DTXSID
DTXSID20970690
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 250 · 250-252 °C
- Boiling point
- 422.5 · 422.5±55.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 1.71 · 1.71±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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