Kainic acid supplier | CasNO.487-79-6

Name
KAINIC ACID
EINECS
CAS No. 487-79-6
Article Data60
CAS DataBase
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 213.233
Flash Point 219.8 °C
Transport Information
Appearance White solid
Safety 22-24/25-36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
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;
PSA 86.63000
LogP 0.65480

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.

Product Name

KAINIC ACID

Kainic acid Specification

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