Product Name

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  • Name

    APROBARBITAL METHANOL SOLUTION

  • EINECS
  • CAS No. 77-02-1
  • Density 1.2056 (rough estimate)
  • Solubility 4.121g/L(25 oC)
  • Melting Point 140-141.5°
  • Formula C10H14 N2 O3
  • Boiling Point 349.75°C (rough estimate)
  • Molecular Weight 210.233
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES and ALLYL COMPOUNDS. A sedative and hypnotic agent.
  • Risk Codes
  • Molecular Structure Molecular Structure of 77-02-1 (APROBARBITAL METHANOL SOLUTION)
  • Hazard Symbols
  • Synonyms 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylethyl)-5-(2-propenyl)- (9CI); Barbituric acid, 5-allyl-5-isopropyl-(8CI); 5-Allyl-5-isopropylbarbituric acid; 5-Isopropyl-5-allylbarbituric acid;Allional; Allonal; Allylisopropylbarbituric acid; Allylisopropylmalonylurea;Allylpropymal; Allypropymal; Alurate; Alurate Elixir Verdum; Aprobarbital; Aprobarbitone;Aprozal; Isopropylallylbarbituric acid; NSC 120769; Numal
  • PSA 75.27000
  • LogP 1.22850

ALLONAL Chemical Properties

Allonal(77-02-1) is also named as aprobarbital;5-Ally-5-isopropyl barbituric acid; 5-Allyl-5-isopropylbarbituric acid; allyisopropyl-barbituric acid; allylisopropyl-malonylurea; Alurate; Numal,and so on.

CAS: 77-02-1
Molecular Formula: C10H14N2O3
Molecular Weight: 210.22976
EINECS: 200-997-4
Molecular structure:
XLogP3: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 5
Exact Mass: 210.100442
MonoIsotopic Mass: 210.100442
Topological Polar Surface Area: 75.3
Heavy Atom Count: 15
Formal Charge: 0
Complexity: 314
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Density:1.119 g/cm3 
Index of Refraction: 1.476
Molar Refractivity: 52.98 cm3 
Molar Volume: 187.7 cm3 
Polarizability: 21 10-24cm3 
Surface Tension: 34.9 dyne/cm 

ALLONAL Uses

Allonal(77-02-1) is commonly used as hypnotic sedative drugs.

ALLONAL Toxicity Data With Reference

1.   

ipr-rat LDLo:100 mg/kg

   JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.
2.   

ipr-mus LD50:200 mg/kg

   ARZNAD    Arzneimittel-Forschung. Drug Research. 12 (1962),389.
3.   

scu-mus LD50:350 mg/kg

   ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),25.
4.   

orl-rbt LDLo:160 mg/kg

   JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.
5.   

ipr-rbt LDLo:90 mg/kg

   JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.

RTECS:  CP8925000

ALLONAL Safety Profile

Allonal(77-02-1) is poisonous by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. A sedative and hypnotic agent.

 

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