Beta-alanine (C3H7NO2)

Looking for routes to beta-alanine? beta-alanine presents a C3 framework, a carboxylic acid, basic nitrogen. Use the planner with prefilled SMILES, or copy NCCC(=O)O (CAS 107-95-9).

Target: Beta-alanine
CAS: 107-95-9
Formula: C3H7NO2
Approx. MW: 89.09
SMILES: NCCC(=O)O
PubChem CID: 239
Approx. carbons: C3

Beta-alanine structure

Properties

IUPAC name: 3-aminopropanoic acid
Common names: beta-alanine; 107-95-9; 3-Aminopropanoic acid; 3-Aminopropionic acid; Abufene; Beta Alanine; beta-Aminopropionic acid; 2-Carboxyethylamine; omega-Aminopropionic acid; 3-Aminopropanoate
Molecular weight: 89.09
Exact mass: 89.05
InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N

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Beta-alanine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Beta-alanine?

Beta-alanine has molecular formula C3H7NO2. Molecular weight about 89.09 g·mol⁻¹.

What is the CAS number of Beta-alanine?

The CAS Registry Number for Beta-alanine is 107-95-9.

Run AI retrosynthesis for Beta-alanine Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C3H7NO2.

Related targets

Similar compounds

Dl-Alanine sarcosine 2-amino-3-phosphonopropanoic acid 3-amino-2-fluoropropanoic acid 3-Chloro-L-alanine Cyanoacetic Acid

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.