Methyl L-phenylalaninate hydrochloride

C₁₀H₁₄ClNO₂CAS 7524-50-7215.68 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₁₄ClNO₂
Molar mass: 215.68 g/mol
Exact mass: 215.0713 Da
Melting point: 160 °C
logP: 1.15Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7524-50-7

SMILES

COC(=O)[C@@H](N)Cc1ccccc1.Cl

InChIKey

SWVMLNPDTIFDDY-FVGYRXGTSA-N

InChI

InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1

Weigh it out

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

Names and synonyms

13 names · show all

L-Phenylalanine, methyl ester, hydrochloride
L-Phenylalanine, methyl ester, hydrochloride (1:1)
Alanine, phenyl-, methyl ester, hydrochloride, L-
Phenylalanine hydrochloride methyl ester
Phenylalanine methyl ester hydrochloride
(S)-Phenylalanine methyl ester hydrochloride
Methyl (S)-phenylalaninate hydrochloride
Methyl (2S)-2-amino-3-phenylpropanoate hydrochloride
NSC 194642
(S)-2-Amino-3-phenylpropionic acid methyl ester hydrochloride
(2S)-2-Amino-3-phenylpropionic acid methyl ester hydrochloride
Methyl (S)-2-amino-3-phenylpropanoate hydrochloride
L-Phenylanine methyl ester hydrochloride

Work with Methyl L-phenylalaninate 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.

Phenylalanine methyl ester2577-90-4Free base Methyl (R)-phenylalaninate hydrochloride13033-84-6Enantiomer Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-8Stereo not defined

Similar compounds

H-Tyr(bzl)-OMe.HCl34805-17-979 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-173 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-873 % similar Methyl L-tyrosinate hydrochloride3417-91-273 % similar Methyl D-tyrosinate hydrochloride3728-20-973 % similar Methyl 4-bromo-L-phenylalaninate hydrochloride99359-32-773 % similar O-Benzyl-L-serine methyl ester hydrochloride19525-87-271 % similar Phenylalanine ethyl ester hydrochloride3182-93-270 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1 Alanine benzyl ester hydrochloride5557-83-5

Elsewhere

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