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| Name |
Hexamid |
EINECS | N/A |
| CAS No. | 1164-33-6 | Density | g/cm3 |
| PSA | 69.72000 | LogP | 2.02130 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H25 N3 O3 | Boiling Point | 469.7°Cat760mmHg |
| Molecular Weight | 331.415 | Flash Point | 237.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also BARBITURATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Barbituricacid, 1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl- (6CI,7CI,8CI); 1-(2-Diethylaminoethyl)-5-ethyl-5-phenylbarbituricacid; 1-(2-Diethylaminoethyl)phenobarbital; F 156; Hexamid; Hexamid(tranquilizer) |
Hexamid Chemical Properties
Molecule structure of Hexamid (CAS NO.1164-33-6) :
IUPAC Name: 1-(2-diethylaminoethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione hydrochloride
Molecular Weight: 367.87034 g/mol
Molecular Formula: C18H26ClN3O3
Boiling Point: 469.7 °C at 760 mmHg
Flash Point: 237.9 °C
Enthalpy of Vaporization: 74.61 kJ/mol
Vapour Pressure: 3.2E-09 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 367.166269
MonoIsotopic Mass: 367.166269
Topological Polar Surface Area: 69.7
Heavy Atom Count: 25
Complexity: 484
Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)CCN(CC)CC)C2=CC=CC=C2.Cl
InChI: InChI=1S/C18H25N3O3.ClH/c1-4-18(14-10-8-7-9-11-14)15(22)19-17(24)21(16(18)23)13-12-20(5-2)6-3;/h7-11H,4-6,12-13H2,1-3H3,(H,19,22,24);1H
InChIKey of Hexamid (CAS NO.1164-33-6) : YUSPNJCGBBYBGC-UHFFFAOYSA-N
Hexamid Toxicity Data With Reference
| 1. | orl-mus LD50:190 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 6 (1956),482. | ||
| 2. | scu-mus LD50:490 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 6 (1956),482. | ||
| 3. | ivn-mus LD50:94 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 6 (1956),482. |
Hexamid Safety Profile
A poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also BARBITURATES.
Hexamid Specification
Hexamid (CAS NO.1164-33-6) is also called 1-Diethylaminoethylphenobarbital ; 3-(2-(Diethylamino)ethyl)-5-ethyl-5-phenylbarbituric acid hydrochloride ; 5,5-Phenyl-aethyl-3-(beta-diaethylamino-aethyl)-2,4,6-trioxo-hexahydropyrimidin-HCl ; 5,5-Phenyl-aethyl-3-(beta-diaethylamino-aethyl)-2,4,6-trioxo-hexahydropyrimidin-HCl [German] ; F 156 ; WZ ; Barbituric acid, 3-(2-(diethylamino)ethyl)-5-ethyl-5-phenyl-, hydrochloride .
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