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2-Aminoisobutyric acid (62-57-7)

Identification
Name:2-Aminoisobutyric acid
Synonyms:2-Amino-2-methylpropionic acid;alpha-Aminoisobutyric acid;2-Methylalanine;
CAS:62-57-7
EINECS: 200-544-0
Molecular Formula: C4H9NO2
Molecular Weight: 103.12
InChI: InChI=1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
Molecular Structure: (C4H9NO2) 2-Amino-2-methylpropionic acid;alpha-Aminoisobutyric acid;2-Methylalanine;
Properties
Density:1.109 g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:1.464
Water Solubility:SOLUBLE
Solubility:Soluble in water
Appearance:White crystalline powder
Specification:

The 2-Aminoisobutyric acid with the cas number 62-57-7. It is also called 2-Amino-2-methylpropanoic acid name by IUPAC. Besides, its Merck is 14,445 and BRN is 506496. It seems like white crystalline powder. It can be used for a kind of important pharmaceutical intermediates. It is should be stored at room temperature. 

Properties of 2-Aminoisobutyric acid are: (1)ACD/LogP: -0.33 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -2.83 ; (4)ACD/LogD (pH 7.4): -2.83 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 29.54 Å2 ; (13)Index of Refraction: 1.464 ; (14)Molar Refractivity: 25.64 cm3 ; (15)Molar Volume: 92.9 cm3 ; (16)Polarizability: 10.16 ×10-24cm3 ; (17)Surface Tension: 42.4 dyne/cm ; (18)Density: 1.109 g/cm3 ; (19)Flash Point: 77.4 °C ; (20)Enthalpy of Vaporization: 48.56 kJ/mol ; (21)Boiling Point: 204.4 °C at 760 mmHg ; (22)Vapour Pressure: 0.108 mmHg at 25°C

Uses of 2-Aminoisobutyric acid: 2-Aminoisobutyric acid can be used as reactant in many reations. For instance, it can react with phthalic acid anhydride to obtain 2-methyl-2-phthalimido-propionic acid at 180 - 185°C for 20 min or react at 120 - 125°C for 5 hour(s), the yield is 84 %.

When you are using 2-Aminoisobutyric acid, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, do not breathe dust, because it is quite harmful by inhalation, in contact with skin and if swallowed.



You can still convert the following datas into molecular structure :
1.SMILES:O=C(O)C(N)(C)C
2.InChI:InChI=1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)

Toxic information of 2-Aminoisobutyric acid can be showed as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   National Technical Information Service. Vol. AD691-490,
rat LD intraperitoneal > 2500mg/kg (2500mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.

HS Code: 29224995
Storage Temperature: Store at RT.
Safety Data