4-Morpholinobenzoic acid

C₁₁H₁₃NO₃CAS 7470-38-4207.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₁H₁₃NO₃
Molar mass: 207.23 g/mol
Exact mass: 207.0895 Da
logP: 1.22Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7470-38-4

SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)O

InChIKey

XVAJKPNTGSKZSQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)

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

Names and synonyms

1 names

4-(Morpholin-4-yl)benzoic acid

Work with 4-Morpholinobenzoic acid

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-(1-Pyrrolidinyl)benzoic acid22090-27-372 % similar 4-Piperidin-1-yl-benzoic acid22090-24-070 % similar 4-(4-Methylpiperazino)benzoic acid86620-62-464 % similar 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-062 % similar 4-Morpholinoacetophenone39910-98-061 % similar 4-(Diethylamino)benzoic acid5429-28-760 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-656 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-N-Acetylphenylalanine10172-89-1 Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate120974-97-2 Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-6 3,4,5-Trimethoxyphenylacetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 N-Acetyl-DL-phenylalanine2901-75-9

Elsewhere

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