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107-95-9 molecular structure
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3-aminopropanoic acid

ChemBase ID: 2810
Molecular Formular: C3H7NO2
Molecular Mass: 89.09318
Monoisotopic Mass: 89.04767847
SMILES and InChIs

SMILES:
NCCC(=O)O
Canonical SMILES:
NCCC(=O)O
InChI:
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey:
UCMIRNVEIXFBKS-UHFFFAOYSA-N

Cite this record

CBID:2810 http://www.chembase.cn/molecule-2810.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminopropanoic acid
IUPAC Traditional name
β-alanine
β alanine
bAla
Synonyms
Beta-Alanine
H-beta-Ala-OH
beta-Alanine
2-Carboxyethylamine
Abufene
NSC 7603
β-Aminopropanoic Acid
β-Aminopropionic Acid
ω-Aminopropionic Acid
β-Alanine
β-Alanine
3-Aminopropionic acid
β-Ala
β-ALANINE
β-Ala
β-Alanine
3-Aminopropanoic acid
3-Aminopropanoic acid
3-氨基丙酸
β-丙氨酸
CAS Number
107-95-9
EC Number
203-536-5
MDL Number
MFCD00008200
Beilstein Number
906793
Merck Index
14205
PubChem SID
24848760
160966258
24891409
24901588
46507739
24854389
PubChem CID
239
CHEBI ID
16958
CHEMBL
297569
Chemspider ID
234
DrugBank ID
DB03107
FEMA ID
3252
IUPHAR ligand ID
2365
KEGG ID
D07561
Unique Ingredient Identifier
11P2JDE17B
Wikipedia Title
Beta-Alanine
Flavis Number
17.001

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.0843987  H Acceptors
H Donor LogD (pH = 5.5) -3.1865036 
LogD (pH = 7.4) -3.173632  Log P -3.1735895 
Molar Refractivity 20.7028 cm3 Polarizability 8.358352 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -3.26  LOG S 0.74 
Solubility (Water) 4.94e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
soluble in water expand Show data source
Apperance
Bipyramidal crystals expand Show data source
Melting Point
202 °C (dec.)(lit.) expand Show data source
202(dec.)°C expand Show data source
205°C (decomposes) expand Show data source
207 °C decomp. expand Show data source
ca 205°C dec. expand Show data source
Density
1.437 expand Show data source
1.437 g/cm3 (19 °C) expand Show data source
Organoleptic
fruity; sweet expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
UA2369200 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98% expand Show data source
≥99% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
suitable for insect cell culture expand Show data source
Quality Level
PREMIUM expand Show data source
Product Line
BioReagent expand Show data source
Linear Formula
NH2CH2CH2COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02100929 external link
Crystalline
MP Biomedicals - 02194618 external link
Cell Culture Reagent
Crystalline
MP Biomedicals - 05210409 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB03107 external link
Item Information
Drug Groups experimental
Description An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported. [PubChem]
Sigma Aldrich - W325201 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich - A9920 external link
General description
An N-blocked form of alanine.
Packaging
10 mg in autosmp vl
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich - 239720 external link
Packaging
50 g in glass bottle
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich - A7752 external link
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich - 146064 external link
Packaging
2 kg in poly bottle
25, 500 g in poly bottle
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Toronto Research Chemicals - A637320 external link
β-Alanine is a naturally occurring beta amino acid. β-Alanine is formed in vivo by the degradation of dihydrouracil (D449990) and carnosine. β-Alanine is also the rate-limiting precursor of carnosine, as a result supplementation with β-alanine increases t

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Derave, W. et al.: J. Appl. Physiol., 103, 1736 (2007)
  • • Xia, J.-F. et al.: J. Chrom. B Anal. Technol. Biomed. Life Sci., 977, 1930 (2007)
  • • Artioli, G.G. et al.: Med. Sci. Sports Exer.,42, 1162 (2007)
  • • Effective catalyst for the Knoevenagel condensation, for example of ethyl cyanoacetate with 2-butanone: Org. Synth. Coll., 4, 93 (1963), and of malononitrile with various substrates, where stronger bases would cause self-condensation of the nitrile: J. Org. Chem., 38, 1512 (1973); Synthesis, 669 (1974).
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PATENTS

PATENTS

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INTERNET

INTERNET

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