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N-Acetyl-beta-alanine - 97%, high purity , CAS No.3025-95-4
Basic Description
Synonyms | N-ACETYL-3-AMINOPROPANOIC ACID | N-Acetyl-beta-alanine | 3-acetamidopropanoic acid | A24030 | DTXSID90184343 | CS-0005652 | Tyrosine, 3-nitro-, L- | N-Acetyl-ss-alanine | Ac- | SCHEMBL48517 | Z56886421 | NSC 32039 | NWH65K85HP | ICN 1253 | 3-Acetamidoprop |
Specifications & Purity | ≥97% |
Biochemical and Physiological Mechanisms | N-Acetyl-β-alanine is an abnormal amino acid metabolite formed in patients with isovaleric acidemia (IVA) |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | An abnormal amino acid metabolite |
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Names and Identifiers
Pubchem Sid | 488185260 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185260 |
IUPAC Name | 3-acetamidopropanoic acid |
INCHI | InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) |
InChi Key | LJLLAWRMBZNPMO-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)NCCC(=O)O |
Isomeric SMILES | CC(=O)NCCC(=O)O |
PubChem CID | 76406 |
Molecular Weight | 131.13 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in Methanol |
Melt Point(°C) | 81 °C |
Molecular Weight | 131.130 g/mol |
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XLogP3 | -1.000 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 3 |
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Exact Mass | 131.058 Da |
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Monoisotopic Mass | 131.058 Da |
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Topological Polar Surface Area | 66.400 Ų |
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Heavy Atom Count | 9 |
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Formal Charge | 0 |
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Complexity | 121.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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