chempirical

3-Aminopropionic acid ethyl ester hydrochloride

C5H12ClNO2CAS 4244-84-2153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Melting point
65.5 °C
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
4244-84-2
SMILES
CCOC(=O)CCN.Cl
InChIKey
RJCGNNHKSNIUAT-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • β-Alanine, ethyl ester, hydrochloride
  • β-Alanine, ethyl ester, hydrochloride (1:1)
  • Ethyl 3-aminopropionate hydrochloride
  • Ethyl β-alaninate hydrochloride
  • Ethyl 3-aminopropanoate hydrochloride
  • 3-Aminopropanoic acid ethyl ester hydrochloride
  • CarnoSyn
  • Ethyl β-alaninoate hydrochloride
  • Ethyl 3-aminopropanoate hydrochloride salt
  • 3-Ethoxy-3-oxopropan-1-aminium chloride

Work with 3-Aminopropionic acid ethyl ester hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminobutyric acid ethyl ester hydrochloride6937-16-279 % similar 7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-174 % similar Glycine ethyl ester hydrochloride623-33-666 % similar Diethyl glutarate818-38-259 % similar Ethyl butyrate105-54-455 % similar Diethyl sebacate110-40-755 % similar Diethyl pimelate2050-20-655 % similar Diethyl suberate2050-23-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9 4,4-Dihydroxypiperidine hydrochloride40064-34-4

Elsewhere

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