Methyl 5-aminolevulinate hydrochloride

C₆H₁₂ClNO₃CAS 79416-27-6181.62 g/mol

Open in Covalent MOL file

Ester Ketone Primary amine

Properties

Molecular formula: C₆H₁₂ClNO₃
Molar mass: 181.62 g/mol
Exact mass: 181.0506 Da
Melting point: 119–121 °C
logP: -0.11Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

79416-27-6

SMILES

COC(=O)CCC(=O)CN.Cl

InChIKey

UJYSYPVQHFNBML-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H

Weigh it out

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

Names and synonyms

10 names

Pentanoic acid, 5-amino-4-oxo-, methyl ester, hydrochloride (1:1)
Pentanoic acid, 5-amino-4-oxo-, methyl ester, hydrochloride
Methyl 5-amino-4-oxopentanoate hydrochloride
P 1202
Methyl aminolevulinate hydrochloride
Metvix
5-Amino-4-oxopentanoic acid methyl ester hydrochloride
δ-Aminolevulinic acid methyl ester hydrochloride
5-Aminolevulinic acid methyl ester hydrochloride
Methyl ALA ester hydrochloride

Work with Methyl 5-aminolevulinate 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

Glycine methyl ester hydrochloride5680-79-566 % similar Methyl 3-aminopropionate hydrochloride3196-73-461 % similar Dimethyl 3-oxohexanedioate5457-44-358 % similar Methyl 4-aminobutyrate hydrochloride13031-60-258 % similar Methyl 5-aminopentanoate hydrochloride29840-56-056 % similar Dimethyl succinate106-65-056 % similar n-Hexyl 5-aminolevulinate hydrochloride140898-91-555 % similar Aminolevulinic acid hydrochloride5451-09-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-4 cis-4-Hydroxy-L-proline methyl ester hydrochloride40126-30-5 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-9

Elsewhere

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