Phenylalanine ethyl ester hydrochloride

C11H16ClNO2CAS 3182-93-2229.70 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C11H16ClNO2
Molar mass
229.70 g/mol
Exact mass
229.0870 Da
Melting point
126–127 °C
logP
1.54Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
3182-93-2
SMILES
CCOC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIKey
FPFQPLFYTKMCHN-PPHPATTJSA-N
InChI
InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • L-Phenylalanine, ethyl ester, hydrochloride (1:1)
  • Alanine, phenyl-, ethyl ester, hydrochloride, L-(-)-
  • L-Phenylalanine, ethyl ester, hydrochloride
  • (S)-Phenylalanine ethyl ester hydrochloride
  • Ethyl L-phenylalaninate hydrochloride
  • L-Phenylalanine ether ester hydrochloride
  • L-Ethyl phenylalanine hydrochloride

Work with Phenylalanine 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

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.

H-D-Phe-oet hcl63060-94-6Enantiomer

Similar compounds

(S)-Ethyl 2-amino-4-phenylbutanoate hydrochloride90891-21-778 % similar Phenylalanine benzyl ester hydrochloride2462-32-074 % similar D-Tyrosine ethyl ester hydrochloride23234-43-774 % similar Ethyl L-tyrosinate hydrochloride4089-07-074 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-774 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-670 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-870 % similar Methyl L-phenylalaninate hydrochloride7524-50-770 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-5 (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-4 (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-9 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-3 (R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-5

Elsewhere

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