4-(Morpholin-4-ium-4-ylmethyl)benzoate

C₁₂H₁₅NO₃CAS 62642-62-0221.26 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO₃
Molar mass: 221.26 g/mol
Exact mass: 221.1052 Da
logP: 1.22Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

62642-62-0

SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)O

InChIKey

QYBXZYYECZFQRX-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-(Morpholinomethyl)benzoic acid

Work with 4-(Morpholin-4-ium-4-ylmethyl)benzoate

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-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-766 % similar 4-Morpholinobenzoic acid7470-38-462 % similar 4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride106261-49-861 % similar 4-(Morpholinomethyl)aniline51013-67-351 % similar 4-(Morpholinomethyl)phenylboronic acid279262-23-651 % similar 4-(Hydroxymethyl)benzoic acid3006-96-050 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-949 % similar 4-(Chloromethyl)benzoic acid1642-81-549 % similar

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

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-7 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1 Benzoyl-dl-valine2901-80-6 2-Acetyl-4-butyramidophenol40188-45-2 Morpholin-4-yl-phenyl-acetic acid6342-19-4

Elsewhere

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