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3251-07-8

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Basic Information
CAS No.: 3251-07-8
Name: 4-amino-butyricacimethylester
Article Data: 37
Molecular Structure:
Molecular Structure of 3251-07-8 (4-amino-butyricacimethylester)
Formula: C5H11 N O2
Molecular Weight: 117.148
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
Density: 0.99g/cm3
Melting Point: 73-75 °C
Boiling Point: 164.8°Cat760mmHg
Flash Point: 38.7°C
Safety: Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and ESTERS.
PSA: 52.32000
LogP: 0.59860
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Chemistry

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:

Uses

 4-Aminobutyric acid methyl ester (CAS No.3251-07-8) is used as chemical product.

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.

Safety Profile

Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and ESTERS.

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)