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Kainic acid

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Kainic acid

EINECS
CAS No. 487-79-6 Density 1.22 g/cm3
Solubility soluble in water Melting Point 253-254 °C
Formula C10H15NO4 Boiling Point 439.9 °C at 760 mmHg
Molecular Weight 213.26 Flash Point 219.8 °C
Transport Information Appearance White solid
Safety 22-24/25-36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 487-79-6 (3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-) Hazard Symbols
Synonyms

3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, [2S-(2a,3b,4b)]-;3-Pyrrolidineacetic acid,2-carboxy-4-isopropenyl- (6CI,7CI,8CI);(-)-Kainic acid;(-)-a-Kainic acid;(2S,3S,4S)-2-Carboxy-4-isopropenylpyrrolidine-3-acetic acid;Digenic acid;Digenin;Helminal;Kainic acid;L-a-Kainic acid;a-Kainic acid;

 

Kainic acid Specification

The Kainic acid , with cas registry number of 487-79-6, is also known as Digenic acid ; Digenin ; Helminal ; Kainate . Its IUPAC name is called (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid .

Physical properties about this chemical are: (1) ACD/LogP: 0.50 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -2.79 ; (4) ACD/LogD (pH 7.4): -3 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 5 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 55.84 Å2 ; (13) Index of Refraction: 1.508 ; (14) Molar Refractivity: 52.17 cm3 ; (15) Molar Volume: 174.7 cm3 ; (16) Surface Tension: 45.1 dyne/cm ; (17) Density: 1.22 g/cm3 ; (18) Flash Point: 219.8 °C ; (19) Enthalpy of Vaporization: 76.41 kJ/mol ; (20) Boiling Point: 439.9 °C at 760 mmHg ; (21) Vapour Pressure: 5.74E-09 mmHg at 25°C.

Uses of Kainic acid : This chemical is a kind of Glutamate receptor. It is obtained from the red alga Digenea simplex. This compound, which mimics the effect of glutamate, can cause neurotoxicity and has been used experimentally.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. Wear suitable protective clothing when use it. Avoid contact with skin and eyes. Do not breathe dust. Store it at the temperature of 2-8°C.

You can still convert the following datas into molecular structure:
(1) InChI: InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 ;
(2) Smiles: C([C@H]1[C@H](CN[C@@H]1C(O)=O)C(C)=C)C(O)=O

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 32mg/kg (32mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Neuroscience. Vol. 44, Pg. 343, 1991.

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