N-Methyl-N-pentyl-β-alanine methyl ester

C₁₀H₂₁NO₂CAS 744266-99-7187.28 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₀H₂₁NO₂
Molar mass: 187.28 g/mol
Exact mass: 187.1572 Da
logP: 1.67Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Identifiers

CAS number

744266-99-7

SMILES

CCCCCN(C)CCC(=O)OC

InChIKey

ZWKFEVVFVAGPDE-UHFFFAOYSA-N

InChI

InChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3

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

Names and synonyms

1 names

β-Alanine, N-methyl-N-pentyl-, methyl ester

Work with N-Methyl-N-pentyl-β-alanine methyl ester

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

Methyl laurate111-82-061 % similar Methyl palmitate112-39-061 % similar Methyl stearate112-61-861 % similar Methyl eicosanoate1120-28-161 % similar Methyl nonanoate1731-84-661 % similar Methyl undecanoate1731-86-861 % similar Methyl tridecanoate1731-88-061 % similar Methyl heptadecanoate1731-92-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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