5-Aminomethyl-3-isoxyzole supplier

Name
MUSCIMOL
EINECS 220-430-4
CAS No. 2763-96-4
Article Data24
CAS DataBase
Density 1.291g/cm³
Solubility 5.67E+05 mg/L at 25 °C in water
Melting Point 175-176°C
Formula C₄H₆N₂O₂
Boiling Point 325°Cat760mmHg
Molecular Weight 114.104
Flash Point 150.4°C
Transport Information
Appearance white to off-white powder
Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Human systemic effects by an unspecified route: sleep, nausea or vomiting, hallucinations and distorted perceptions. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes 25
Molecular Structure
Hazard Symbols
Synonyms 4-Isoxazolin-3-one,5-(aminomethyl)- (7CI,8CI);3-Hydroxy-5-aminomethylisoxazole;5-(Aminomethyl)-3-isoxazolol;Agarin;Agarine;Muscimol;NSC 333569;Pantherine;
PSA 72.28000
LogP 0.53920

5-Aminomethyl-3-isoxyzole Chemical Properties

IUPAC Name: 5-(Aminomethyl)-1,2-oxazol-3-one
Molecular Weight: 114.10264 g/mol
Molecular Formula: C₄H₆N₂O₂
Density: 1.291 g/cm³
Melting Point: 175 °C
Boiling Point: 325 °C at 760 mmHg
Flash Point: 150.4 °C
Water Solubility: 5.67E+05 mg/L at 25 °C
Storage temp.: 2-8 °C
Appreance: white to off-white powder
Henry's Law Constant: 1.61E-12 atm-m³/mole at 25 °C
Atmospheric OH Rate Constant: 6.56E-11 cm³/molecule-sec at 25 °C
Molar Volume: 88.3 cm³
Surface Tension: 44.3 dyne/cm
Enthalpy of Vaporization: 58.97 kJ/mol
Vapour Pressure: 0.000125 mmHg at 25 °C
XLogP3-AA: -1.4
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 220-430-4
Product Categories: Plant Oils, Toxins, Phenolic Acids & Derivatives; Heterocyclic Compounds; Enzyme substrates; Neurochemicals; GABA/Glycine receptor

5-Aminomethyl-3-isoxyzole Uses

5-Aminomethyl-3-isoxyzole (CAS NO.2763-96-4) is a potent but toxic structural analogue of g-aminobutyric acid (GABA), with a zwitterionic structure that can cross the blood-brain barrier. And 5-Aminomethyl-3-isoxyzole formerly used as a sedative and an anti-emetic.

5-Aminomethyl-3-isoxyzole Toxicity Data With Reference

1.	unk-hmn TDLo:109 µg/kg:CNS,GIT	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.
2.	orl-rat LD50:45 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.
3.	ivn-rat LD50:4500 µg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.
4.	ipr-mus LD50:2500 µg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.
5.	scu-mus LD50:3800 µg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.
6.	ivn-mus LD50:5620 µg/kg	CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#11824 .
7.	ivn-rbt LDLo:10 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311.

5-Aminomethyl-3-isoxyzole Consensus Reports

Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.

5-Aminomethyl-3-isoxyzole Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Human systemic effects by an unspecified route: sleep, nausea or vomiting, hallucinations and distorted perceptions. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Toxic T
Risk Statements: 25
R25: Toxic if swallowed
Safety Statements: 22-36/37/39-45
S22: Do not breathe dust
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 1544 6.1/PG 2
WGK Germany: 3
RTECS: NY3345000
F: 3-10
HazardClass: 6.1(a)
PackingGroup: II

5-Aminomethyl-3-isoxyzole Specification

5-Aminomethyl-3-isoxyzole (CAS NO.2763-96-4) is also called 3(2H)isoxazoione, 5-(aminomethyl)- ; 3-Hydroxy-5-aminomethylisoxazole-agarin ; 5-(Aminomethyl)-3(2h)-isoxazolon ; 5-(Aminomethyl)-3-isoxazolo ; 5-Aminomethyl-3-isoxyzole ; Agarine ; Pantherin ; Rcrawastenumberp007 . 5-Aminomethyl-3-isoxyzole is a ketone and an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. 5-Aminomethyl-3-isoxyzole is a natural constituent of amanita mushrooms and is extremely toxic. It is a potent central nervous system depressant, and is believed to be responsible for most of the nervous system effects that result from eating this mushroom. The lowest toxic dose in humans has been reported at 109 mg/kg. When heated to decomposition, 5-Aminomethyl-3-isoxyzole emits toxic fumes of nitrogen oxides.

Product Name

MUSCIMOL