Alanine methyl ester hydrochloride

C4H10ClNO2CAS 2491-20-5139.58 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C4H10ClNO2
Molar mass
139.58 g/mol
Exact mass
139.0400 Da
Melting point
108 °C
logP
-0.07Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
2491-20-5
SMILES
COC(=O)[C@H](C)N.Cl
InChIKey
IYUKFAFDFHZKPI-DFWYDOINSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Alanine, methyl ester, hydrochloride (1:1)
  • Alanine, methyl ester, hydrochloride, L-
  • L-Alanine, methyl ester, hydrochloride
  • Methyl L-alaninate hydrochloride
  • (S)-Alanine methyl ester hydrochloride
  • Methyl alaninate hydrochloride
  • L-Alanine methyl ester hydrochloride salt
  • (S)-2-Aminopropionic acid methyl ester hydrochloride
  • NSC 29729
  • Methyl (S)-2-aminopropanoate hydrochloride
  • (L)-Ala-OMe hydrochloride
  • L-Alanine methyl ester hydrogen chloride
  • Methyl (2S)-2-aminopropanoate hydrochloric acid

Work with Alanine methyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-4Enantiomer (±)-Alanine methyl ester hydrochloride13515-97-4Stereo not defined

Similar compounds

L-Alanine isopropyl ester hydrochloride39825-33-762 % similar L-Alanine isopropyl ester hydrochloride62062-65-162 % similar Methyl D-valinate hydrochloride21685-47-260 % similar Methyl DL-valinate hydrochloride5619-05-660 % similar Methyl L-valinate hydrochloride6306-52-160 % similar Methyl D-valinate hydrochloride7146-15-860 % similar (S)-Alanine ethyl ester hydrochloride1115-59-958 % similar tert-Butyl alaninate hydrochloride13404-22-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl sarcosinate hydrochloride13515-93-0 cis-3,4-Dihydroxypyrrolid...186393-21-5 Dimethylglycine hydrochloride2491-06-7 Methyl 3-aminopropionate hydrochloride3196-73-4 L-Beta-homoalanine hydrochloride58610-41-6 (s)-2-Aminobutanoic acid hydrochloride5959-29-5

Elsewhere

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