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