Methyl 3-phenyl-DL-alaninate hydrochloride

C₁₀H₁₄ClNO₂CAS 5619-07-8215.68 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: 159–160 °C
logP: 1.15Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

5619-07-8

SMILES

COC(=O)C(N)Cc1ccccc1.Cl

InChIKey

SWVMLNPDTIFDDY-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

7 names

Phenylalanine, methyl ester, hydrochloride (1:1)
Alanine, phenyl-, methyl ester, hydrochloride, DL-
DL-Phenylalanine, methyl ester, hydrochloride
Phenylalanine, methyl ester, hydrochloride
(±)-Phenylalanine methyl ester hydrochloride
Methyl DL-phenylalaninate hydrochloride
Methyl 2-amino-3-phenylpropanoate hydrochloride

Work with Methyl 3-phenyl-DL-alaninate 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, defined stereoisomer Methyl L-phenylalaninate hydrochloride7524-50-7Defined stereoisomer Methyl (R)-phenylalaninate hydrochloride13033-84-6Defined stereoisomer

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 O-Benzyl-L-serine methyl ester hydrochloride19525-87-271 % similar Phenylalanine ethyl ester hydrochloride3182-93-270 % similar H-D-Phe-oet hcl63060-94-670 % 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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