3-Aminobutanoic acid

Base Information

• Chemical Name: 3-Aminobutanoic acid
• CAS No.: 541-48-0
• Deprecated CAS: 167222-96-0,2835-82-7
• Molecular Formula: C₄H₉NO₂
• Molecular Weight: 103.121
• European Community (EC) Number: 208-783-2,220-617-0
• NSC Number: 77380
• UNII: 4282SA5CTS
• DSSTox Substance ID: DTXSID4040975
• Nikkaji Number: J2.640I
• Wikipedia: %CE%92-Aminobutyric_acid
• Wikidata: Q3604567
• Metabolomics Workbench ID: 45019
• ChEMBL ID: CHEMBL1995111
• Mol file: 541-48-0.mol

Synonyms:3-aminobutyric acid;3-aminobutyric acid, (+-)-isomer;3-aminobutyric acid, (R)-isomer;3-aminobutyric acid, (S)-isomer;BABA cpd;beta-aminobutyric acid;DL-3-aminobutyric acid

Chemical Property of 3-Aminobutanoic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0352mmHg at 25°C
• Melting Point: 189°C (dec.)(lit.)
• Refractive Index: 1.462
• Boiling Point: 223.6 °C at 760 mmHg
• PKA: 3.67±0.12(Predicted)
• Flash Point: 89 °C
• PSA: 63.32000
• Density: 1.105 g/cm³
• LogP: 0.50860
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Water
• Water Solubility.: almost transparency
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

rac3-AminobutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)N
• Uses: 3-Aminobutyric Acid is one of the three positional isomer of the the chemical compound butryric acid. 3-Aminobutyric Acid is a nonprotein amino acid. 3-Aminobutyric Acid has been shown to be a plant d efense primer that suppresses growth of some insect herbivores when applied as a root drench. 3-Aminobutanoic acid can be used as a reactant to synthesize: N-aryl amino butanoic acids by Ullmann type aryl amination reaction with aryl halides. 3-amino butanoic acid methyl ester, which is used as a chemical intermediate to prepare substituted piperidinone via an ester-imine derivative of aminobutanoic acid.

Technology Process of 3-Aminobutanoic acid

There total 1 articles about 3-Aminobutanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-[Hydroxy-((S)-1-phenyl-ethyl)-amino]-butyric acid methyl ester (95503-53-0,95503-54-1) → (+)-3-aminobutanoic acid (541-48-0,2835-82-7,3775-72-2,3775-73-3)

Guidance literature:

With hydrogen; lithium hexamethyldisilazane; palladium on activated charcoal; Yield given. Multistep reaction; 1) THF, -78 deg C;

DOI:10.1016/S0040-4020(01)98811-8

upstream raw materials:

3-[Hydroxy-((S)-1-phenyl-ethyl)-amino]-butyric acid methyl ester

Refernces