Product Name

  • Name

    (1S,2R)-2-(methylamino)-1-phenylpropyl dihydrogen phosphate

  • EINECS
  • CAS No. 7234-08-4
  • Density 1.285g/cm3
  • Solubility
  • Melting Point
  • Formula C10H16NO4P
  • Boiling Point 422.5°C at 760 mmHg
  • Molecular Weight 245.215
  • Flash Point 209.3°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also EPHEDRINE and ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 7234-08-4 ((1S,2R)-2-(methylamino)-1-phenylpropyl dihydrogen phosphate)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

D-Ephedrine phosphate (ester) Chemical Properties

Molecule structure of D-Ephedrine phosphate (ester) (CAS NO.7234-08-4):

IUPAC Name: [(1S,2R)-2-(Methylamino)-1-phenylpropyl] dihydrogen phosphate 
Molecular Weight: 245.212101 g/mol
Molecular Formula: C10H16NO4P 
Density: 1.285 g/cm3 
Boiling Point: 422.5 °C at 760 mmHg 
Flash Point: 209.3 °C
Index of Refraction: 1.545
Molar Refractivity: 60.31 cm3
Molar Volume: 190.7 cm3
Polarizability: 23.9×10-24 cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 71.33 kJ/mol
Vapour Pressure: 6.84E-08 mmHg at 25 °C
XLogP3: -2
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 245.081695
MonoIsotopic Mass: 245.081695
Topological Polar Surface Area: 78.8
Heavy Atom Count: 16
Complexity: 249
Defined Atom StereoCenter Count: 2
Canonical SMILES: CC(C(C1=CC=CC=C1)OP(=O)(O)O)NC
Isomeric SMILES: C[C@H]([C@H](C1=CC=CC=C1)OP(=O)(O)O)NC
InChI: InChI=1S/C10H16NO4P/c1-8(11-2)10(15-16(12,13)14)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H2,12,13,14)/t8-,10-/m1/s1
InChIKey: NHCPYBTZNTVGGP-PSASIEDQSA-N
Classification Code of D-Ephedrine phosphate (ester) (CAS NO.7234-08-4): Drug / Therapeutic Agent

D-Ephedrine phosphate (ester) Toxicity Data With Reference

1.    

orl-mus LD50:1800 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
2.    

ipr-mus LD50:815 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
3.    

scu-mus LD50:865 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
4.    

ivn-mus LD50:815 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.

D-Ephedrine phosphate (ester) Safety Profile

Moderately toxic by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also EPHEDRINE and ESTERS.

D-Ephedrine phosphate (ester) Specification

 D-Ephedrine phosphate (ester) (CAS NO.7234-08-4) is also named as BRN 2812589 ; D-alpha-(1-(Methylamino)ethyl)benzyl phosphate ; Ephedrine, phosphate (ester), (+)- .

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