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62-57-7

62-57-7 structural image
Product Name: 2-Aminoisobutyric Acid
Formula: C4H9NO2
Synonyms: α-Aminoisobutyric acid;2-Methylalanine;Aib
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]
Melting Point 335 °C
Solubility 181 mg/mL at 25 °C
Collision Cross Section 123.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Chemical Classes Nitrogen Compounds -> Amino Carboxylic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 103.12 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 103.063328530 g/mol
Monoisotopic Mass 103.063328530 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 87.7
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
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-aminoisobutyric acid is a rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays. It is functionally related to a propionic acid and an isobutyric acid.

RELATED SUPPLIERS

VGS SYNTHESIS PRIVATE LIMITED

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