chempirical

Methyl 5-aminolevulinate hydrochloride

C6H12ClNO3CAS 79416-27-6181.62 g/mol

Open in Covalent MOL file
OOONH2HCl
EsterKetonePrimary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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

Same formula

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

Elsewhere

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