Ethyl 4-aminobutyrate hydrochloride supplier

Name
ETHYL 4-AMINOBUTYRATE HYDROCHLORIDE
EINECS 230-063-1
CAS No. 6937-16-2
Article Data9
CAS DataBase
Density 0.973g/cm³
Solubility
Melting Point 89-91 °C(lit.)
Formula C₆H₁₃NO₂^.HCl
Boiling Point 182.1 °C at 760 mmHg
Molecular Weight 167.636
Flash Point 54.5 °C
Transport Information
Appearance WHITE SOLID, POWDER OR CRYSTALS
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 52.32000
LogP 1.79070

Ethyl 4-aminobutyrate hydrochloride Specification

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 C₆to 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,

Product Name

ETHYL 4-AMINOBUTYRATE HYDROCHLORIDE

Ethyl 4-aminobutyrate hydrochloride Specification

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