Ethyl α-aminoisobutyrate hydrochloride

C6H14ClNO2CAS 17288-15-2167.63 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C6H14ClNO2
Molar mass
167.63 g/mol
Exact mass
167.0713 Da
Melting point
156–157 °C
logP
0.71Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17288-15-2
SMILES
CCOC(=O)C(C)(C)N.Cl
InChIKey
YREPHXXOTHNLEV-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2.ClH/c1-4-9-5(8)6(2,3)7;/h4,7H2,1-3H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Alanine, 2-methyl-, ethyl ester, hydrochloride (1:1)
  • Alanine, 2-methyl-, ethyl ester, hydrochloride
  • α-Methylalanine ethyl ester hydrochloride
  • α-Aminoisobutyric acid ethyl ester hydrochloride
  • Ethyl 2-amino-2-methylpropanoate hydrochloride
  • 1-Ethoxycarbonyl-1-methylethylamine hydrochloride

Work with Ethyl α-aminoisobutyrate 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

Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride80253-38-959 % similar α-Aminoisobutyric acid methyl ester hydrochloride15028-41-858 % similar tert-Butyl 2-amino-2-methylpropanoate hydrochloride84758-81-656 % similar Ethyl pivalate3938-95-253 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-450 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-948 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-348 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl D-valinate hydrochloride21685-47-2 Glycine tert-butyl ester hydrochloride27532-96-3 Methyl 5-aminopentanoate hydrochloride29840-56-0 L-Alanine isopropyl ester hydrochloride39825-33-7 Methyl DL-valinate hydrochloride5619-05-6 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1 4-Aminobutyric acid ethyl ester hydrochloride6937-16-2

Elsewhere

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