Product Name

  • Name

    demethyldeacetylmoxisylyte

  • EINECS
  • CAS No. 72732-50-4
  • Density 1.014g/cm3
  • Solubility
  • Melting Point
  • Formula C13H21 N O2
  • Boiling Point 357.5°C at 760 mmHg
  • Molecular Weight 223.35
  • Flash Point 170°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 72732-50-4 (demethyldeacetylmoxisylyte)
  • Hazard Symbols
  • Synonyms N-Dimethyldeacetylthymoxamine;N-Methyl-2-(4-hydroxy-2-isopropyl-5-methylphenoxy)ethylamine
  • PSA 41.49000
  • LogP 2.81310

Deacetyldemethylthymoxamine Chemical Properties

Molecule structure of Deacetyldemethylthymoxamine (CAS NO.72732-50-4):

IUPAC Name: 2-Methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol 
Molecular Weight: 223.31134 g/mol
Molecular Formula: C13H21NO2
Density: 1.014 g/cm3 
Boiling Point: 357.5 °C at 760 mmHg 
Flash Point: 170 °C
Index of Refraction: 1.518
Molar Refractivity: 66.68 cm3
Molar Volume: 220 cm3
Polarizability: 26.43×10-24 cm3
Surface Tension: 36 dyne/cm 
Enthalpy of Vaporization: 62.67 kJ/mol 
Vapour Pressure: 1.32E-05 mmHg at 25 °C
XLogP3: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 6
Exact Mass: 223.157229
MonoIsotopic Mass: 223.157229
Topological Polar Surface Area: 41.5
Heavy Atom Count: 16
Complexity: 196
Canonical SMILES: CC1=CC(=C(C=C1O)C(C)C)OCCNC
InChI: InChI=1S/C13H21NO2/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4/h7-9,14-15H,5-6H2,1-4H3
InChIKey of Deacetyldemethylthymoxamine (CAS NO.72732-50-4): GOHVWKGLNUZCRK-UHFFFAOYSA-N

Deacetyldemethylthymoxamine Toxicity Data With Reference

1.    

orl-mus LD50:340 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 16 (1982),1147.
2.    

ipr-mus LD50:84 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 16 (1982),1147.
3.    

ivn-mus LD50:28 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 16 (1982),1147.

Deacetyldemethylthymoxamine Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Deacetyldemethylthymoxamine Specification

 Deacetyldemethylthymoxamine (CAS NO.72732-50-4) is also named as Demethyldeacetylmoxisylyte ; (2-(4-Hydroxy-2-isopropyl-5-methylphenoxy)ethyl)methylamine ; BRN 2449770 ; Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)- ; Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-isopropyl- ; Carvacrol, 5-(2-(methylamino)ethoxy)- ; Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)-, 9-cis- .

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