Β-Alanine ethyl ester

β-Alanine ethyl ester
Names
	IUPAC name Ethyl β-alaninate
	Systematic IUPAC name Ethyl 3-aminopropanoate
	Other names Ethyl 3-aminopropionate; Ethyl β-alanate; Ethyl β-aminopropionate; Ethyl β-aminopropoanoate; 3-Aminopropionic acid ethyl ester; 3-Aminopropanoic acid ethyl ester
Identifiers
CAS Number	924-73-2 (free base) ; 4244-84-2 (hydrochloride) ;
3D model (JSmol)	Interactive image;
ChemSpider	371693 ;
PubChem CID	419889;
UNII	ZWD52URW2Y ;
CompTox Dashboard (EPA)	DTXSID20329386 ;
	InChI InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3 Key: GSQBIOQCECCMOQ-UHFFFAOYSA-N ; InChI=1/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3 Key: GSQBIOQCECCMOQ-UHFFFAOYAS;
	SMILES O=C(OCC)CCN;
Properties
Chemical formula	C5H11NO2
Molar mass	117.148 g·mol−1
Melting point	65–67 °C (149–153 °F; 338–340 K) hydrochloride
Boiling point	58 °C (136 °F; 331 K) 14 Torr (free base)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

β-Alanine ethyl ester is the ethyl ester of the non-essential amino acid β-alanine. It would be expected to hydrolyse within the body to form β-alanine.^[2]

References

^ Kodaira, Toshiyuki; Miyake, Hideo; Hayashi, Koichiro; Okamura, Seizo (1965). "The Synthesis and Polymerization of β-Propiolactam and α-Phenyl-β-propiolactam". Bulletin of the Chemical Society of Japan. 38 (10): 1788–1789. doi:10.1246/bcsj.38.1788.
^ Wright, Margaret Robson (1969). "Arrhenius parameters for the acid hydrolysis of esters in aqueous solution. Part I. Glycine ethyl ester, β-alanine ethyl ester, acetylcholine, and methylbetaine methyl ester". Journal of the Chemical Society B: Physical Organic: 707–710. doi:10.1039/J29690000707.

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[1] Kodaira, Toshiyuki; Miyake, Hideo; Hayashi, Koichiro; Okamura, Seizo (1965). "The Synthesis and Polymerization of β-Propiolactam and α-Phenyl-β-propiolactam". Bulletin of the Chemical Society of Japan. 38 (10): 1788–1789. doi:10.1246/bcsj.38.1788.

[2] Wright, Margaret Robson (1969). "Arrhenius parameters for the acid hydrolysis of esters in aqueous solution. Part I. Glycine ethyl ester, β-alanine ethyl ester, acetylcholine, and methylbetaine methyl ester". Journal of the Chemical Society B: Physical Organic: 707–710. doi:10.1039/J29690000707.

[1]

[2]

Names


IUPAC name Ethyl β-alaninate
Systematic IUPAC name Ethyl 3-aminopropanoate
Other names Ethyl 3-aminopropionate Ethyl β-alanate Ethyl β-aminopropionate Ethyl β-aminopropoanoate 3-Aminopropionic acid ethyl ester 3-Aminopropanoic acid ethyl ester
Identifiers
CAS Number	924-73-2 (free base)^N 4244-84-2 (hydrochloride)^N
3D model (JSmol)	Interactive image
ChemSpider	371693^Y
PubChem CID	419889
UNII	ZWD52URW2Y^Y
CompTox Dashboard (EPA)	DTXSID20329386
InChI InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3^Y Key: GSQBIOQCECCMOQ-UHFFFAOYSA-N^Y InChI=1/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3 Key: GSQBIOQCECCMOQ-UHFFFAOYAS
SMILES O=C(OCC)CCN
Properties
Chemical formula	C₅H₁₁NO₂
Molar mass	117.148 g·mol⁻¹
Melting point	65–67 °C (149–153 °F; 338–340 K) hydrochloride
Boiling point	58 °C (136 °F; 331 K)^[1] 14 Torr (free base)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references