The Butanedioic acid,sodium salt (1:1), with the CAS registry number 2922-54-5 and EINECS registry number 220-871-2, has the systematic name of sodium 3-carboxypropanoate. And the molecular formula of the chemical is C4H6NaO4.
The characteristics of Butanedioic acid,sodium salt (1:1) are as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 63.6 Å2; (7)Flash Point: 110.9 °C; (8)Enthalpy of Vaporization: 52.09 kJ/mol; (9)Boiling Point: 236.1 °C at 760 mmHg; (10)Vapour Pressure: 0.0165 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CCC(=O)O
(2)InChI: InChI=1/C4H6O4.Na/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1
(3)InChIKey: KZQSXALQTHVPDQ-REWHXWOFAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 36, Pg. 50, 1947. |
guinea pig | LDLo | intramuscular | 3gm/kg (3000mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942. | |
rat | LD50 | oral | > 8gm/kg (8000mg/kg) | Food and Chemical Toxicology. Vol. 28, Pg. 235, 1990. |
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