4-Benzylmorpholine-2-carboxylic acid hydrochloride

C₁₂H₁₆ClNO₃CAS 135072-15-0257.71 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClNO₃
Molar mass: 257.71 g/mol
Exact mass: 257.0819 Da
logP: 1.39Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

135072-15-0

SMILES

C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl

InChIKey

CEDXMALCJZSQHA-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO3.ClH/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H

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Names and synonyms

1 names

4-Benzyl-2-morpholinecarboxylic acid hydrochloride

Work with 4-Benzylmorpholine-2-carboxylic acid 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

4-(Phenylmethyl)-2-morpholinemethanol40987-24-451 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-748 % similar 4-Benzylmorpholine-2-carbonitrile126645-52-148 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-548 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-345 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-145 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-544 % similar cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-444 % similar

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

Elsewhere

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