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| Name |
Diothane |
EINECS | N/A |
| CAS No. | 101-08-6 | Density | g/cm3 |
| PSA | 79.90000 | LogP | 4.42220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H27 N3 O4 | Boiling Point | 502°Cat760mmHg |
| Molecular Weight | 397.474 | Flash Point | 257.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Propanediol,3-(1-piperidinyl)-, bis(phenylcarbamate) (ester) (9CI); 1,2-Propanediol, 3-piperidino-,dicarbanilate (6CI,7CI); 1,2-Propanediol, 3-piperidino-, dicarbanilate (ester)(8CI); (?à)-Diperodon; Diothane; Diperodon;Diperodone |
Diothane Chemical Properties
Molecule structure of Diothane (CAS NO.101-08-6) :
IUPAC Name: [1-(phenylcarbamoyloxy)-3-piperidin-1-ylpropan-2-yl] N-phenylcarbamate
Molecular Weight: 397.46748 g/mol
Molecular Formula: C22H27N3O4
Density: 1.243 g/cm3
Boiling Point: 502 °C at 760 mmHg
Flash Point: 257.4 °C
Index of Refraction: 1.616
Molar Refractivity: 111.71 cm3
Molar Volume: 319.6 cm3
Polarizability: 44.28*10-24 cm3
Surface Tension: 57.5 dyne/cm
Enthalpy of Vaporization: 77.1 kJ/mol
Vapour Pressure: 3.3E-10 mmHg at 25 °C
XLogP3-AA: 3.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 9
Tautomer Count: 4
Exact Mass: 397.200156
MonoIsotopic Mass: 397.200156
Topological Polar Surface Area: 79.9
Heavy Atom Count: 29
Complexity: 498
Canonical SMILES: C1CCN(CC1)CC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)
InChIKey: YUGZHQHSNYIFLG-UHFFFAOYSA-N
EINECS of Diothane (CAS NO.101-08-6) : 202-913-1
Diothane Toxicity Data With Reference
| 1. | scu-mus LDLo:1200 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 47 (1933),255. | ||
| 2. | scu-rbt LDLo:300 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 47 (1933),255. | ||
| 3. | ivn-rbt LDLo:15 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 47 (1933),255. | ||
| 4. | scu-gpg LDLo:400 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 47 (1933),255. |
Diothane Safety Profile
Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Diothane Specification
Diothane (CAS NO.101-08-6) is also called 3-(1-Piperidinyl)-1,2-propanediol bis(phenylcarbamate) (ester) ; 3-Piperidino-1,2-propandiol dicaranilsaeureester ; Diperodon anhydrous ; Diperodonum ; Diperodonum [INN-Latin] ; 1,2-Propanediol, 3-(1-piperidinyl)-, bis(phenylcarbamate) (ester) ; Diperodon .
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