2-(Acetylamino)butanoic acid
Basic information
- CAS
34271-24-4- Standard SMILES
CCC(NC(C)=O)C(=O)O- InChIKey
WZVZUKROCHDMDT-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
Overview
2-acetamidobutanoic acid is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 2-(Acetylamino)butanoic acid
- IUPAC
- 2-acetamidobutanoic acid
- English name
- N-Acetyl-DL-2-amino-n-butyric acid
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
2-(Acetylamino)butanoic acidRefChem:4594262-acetamidobutanoic acid7211-57-6Ac-DL-Abu-OH(+/-)-2-Acetylaminobutanoic Acid114285-09-57682-14-6N-ACETYL-DL-2-AMINO-N-BUTYRIC ACIDButanoic acid, 2-(acetylamino)-34271-24-4MFCD00020430
Show more names
alpha-AminoAC-DL-2-ABU-OHACETYL-DL-BUTYRINN-Acetyl-DL-butyrineAC-DL-2-AMINOBUTANOIC ACID2-ACETAMIDO-N-BUTYRIC ACIDAC-DL-ALPHA-AMINOBUTYRIC ACID
N-Acetyl-DL-2-aminobutyric AcidSCHEMBL1704966(-2-Acetylaminobutanoic Acid-d3N-Acetyl-DL-2-amino-butyric acidNSC205007NSC206247NSC-205007NSC-206247
Database identifiers
- CAS
34271-24-4- ChEBI
CHEBI:233193- EC Number
- 634-722-8
- Nikkaji
- J125.808G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 132 °C · 132°C
- pka
- 1 · pK1: 3.716 (25°C)
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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