62-57-7
Product Name:
2-Aminoisobutyric Acid
Formula:
C4H9NO2
Synonyms:
α-Aminoisobutyric acid;2-Methylalanine;Aib
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS] |
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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 |
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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 |
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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.