Product Name

  • Name

    1-diethylaminoethylphenobarbital

  • EINECS
  • CAS No. 1164-33-6
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C18H25 N3 O3
  • Boiling Point 469.7°Cat760mmHg
  • Molecular Weight 331.415
  • Flash Point 237.9°C
  • Transport Information
  • Appearance
  • 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
  • Molecular Structure Molecular Structure of 1164-33-6 (1-diethylaminoethylphenobarbital)
  • Hazard Symbols
  • 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)
  • PSA 69.72000
  • LogP 2.02130

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 .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View