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CAS No.: | 6937-16-2 |
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Name: | ETHYL 4-AMINOBUTYRATE HYDROCHLORIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H13NO2.HCl |
Molecular Weight: | 167.636 |
Synonyms: | Butanoicacid, 4-amino-, ethyl ester, hydrochloride (9CI);Butyric acid, 4-amino-, ethylester, hydrochloride (7CI,8CI);4-Aminobutanoic acid ethyl ester hydrochloride;4-Aminobutyric acid ethyl ester hydrochloride;Ethyl 4-aminobutanoatehydrochloride;Ethyl 4-aminobutyrate hydrochloride;Ethyl g-aminobutyrate hydrochloride; |
EINECS: | 230-063-1 |
Density: | 0.973g/cm3 |
Melting Point: | 89-91 °C(lit.) |
Boiling Point: | 182.1 °C at 760 mmHg |
Flash Point: | 54.5 °C |
Appearance: | WHITE SOLID, POWDER OR CRYSTALS |
Hazard Symbols: | |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 52.32000 |
LogP: | 1.79070 |
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The Ethyl 4-aminobutyrate hydrochloride with its cas register number is 6937-16-2. It also can be called as Butyric acid, 4-amino-, ethyl ester, hydrochloride and the IUPAC Name about this chemical is ethyl 4-aminobutanoate hydrochloride. It belongs to the following product categories, such as C6 to C7, Carbonyl Compounds, Esters and so on.
Physical properties about Ethyl 4-aminobutyrate hydrochloride are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): -2.72; (3)ACD/LogD (pH 7.4): -1.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 26.3Å2; (12)Enthalpy of Vaporization: 41.83 kJ/mol; (13)Vapour Pressure: 0.826 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-Ethoxypyrrolidiniminium Chloride. This reaction will need reagent H2O. The reaction time is 10 hour(s) with Ambient temperature. The yield is about 88%.
Uses of Ethyl 4-aminobutyrate hydrochloride: it can be used to produce ethyl 4-isocyanatobutyrate at temperature of 60 - 110 ℃ with carbonyl dichloride. It will need reagent toluene with reaction time of 2 hours. The yield is about 56.8%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCCN.Cl
(2)InChI: InChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H
(3)InChIKey: CXVQSUBJMYZELD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1350mg/kg (1350mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 229, 1966. |
mouse | LD50 | intravenous | 476mg/kg (476mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 145, Pg. 233, |