- 4-Aminobutyric acid
- 4-Aminobutyric acid methyl ester
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Cas Database |
| Name |
4-Aminobutyric acid methyl ester |
EINECS | N/A |
| CAS No. | 3251-07-8 | Density | 0.99g/cm3 |
| PSA | 52.32000 | LogP | 0.59860 |
| Solubility | N/A | Melting Point |
73-75 °C |
| Formula | C5H11 N O2 | Boiling Point | 164.8°Cat760mmHg |
| Molecular Weight | 117.148 | Flash Point | 38.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyricacid, 4-amino-, methyl ester (6CI,7CI,8CI); 4-Aminobutanoic acid methyl ester;4-Aminobutyric acid methyl ester; GABA methyl ester; Methyl 4-aminobutanoate;Methyl 4-aminobutyrate; Methyl g-aminobutyrate; g-Aminobutyric acid methyl ester |
Article Data | 37 |
4-Aminobutyric acid methyl ester Chemical Properties
IUPAC: Methyl 4-aminobutanoate
4-Aminobutyric acid methyl ester with CAS No.of 3251-07-8 is also called for 3-04-00-01316 (Beilstein Handbook Reference) ; BRN 0635882 ; GABA methyl ester ; Methyl 4-aminobutanoate ; Methyl 4-aminobutyrate ; Methyl gamma-aminobutyrate and so on.
CAS: 3251-07-8
Molecular Formula: C5H11NO2
Molecular Weight: 117.14
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -3.24
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 5
Heavy Atom Count: 8
Formal Charge: 0
Complexity: 72.8
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.429
Molar Refractivity: 30.52 cm3
Molar Volume: 118.2 cm3
Surface Tension: 33.6 dyne/cm
Density: 0.99 g/cm3
Flash Point: 38.7 °C
Enthalpy of Vaporization: 40.13 kJ/mol
Boiling Point: 164.8 °C at 760 mmHg
Vapour Pressure: 1.93 mmHg at 25°C
The molecular structure of 4-Aminobutyric acid methyl ester with CAS No.of 3251-07-8:
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4-Aminobutyric acid methyl ester Uses
4-Aminobutyric acid methyl ester (CAS No.3251-07-8) is used as chemical product.
4-Aminobutyric acid methyl ester Toxicity Data With Reference
| 1. | ipr-rat LD50:950 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 13 (1965),70. | ||
| 2. | ipr-mus LD50:1300 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 13 (1964),70. | ||
| 3. | ivn-rbt LDLo:300 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 13 (1965),70. |
4-Aminobutyric acid methyl ester Safety Profile
Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and ESTERS.
4-Aminobutyric acid methyl ester Specification
Removal in wastewater treatment of 4-Aminobutyric acid methyl ester (CAS No.3251-07-8):
Total removal:1.85 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.76 percent
Total to air:0.00 percent
(using 10000 hr Bio P,A,S)
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