4-(Diethylamino)benzoic acid

C₁₁H₁₅NO₂CAS 5429-28-7193.25 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO₂
Molar mass: 193.25 g/mol
Exact mass: 193.1103 Da
Melting point: 193 °C
logP: 2.23Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5429-28-7

SMILES

CCN(CC)c1ccc(C(=O)O)cc1

InChIKey

LNYTUARMNSFFBE-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 4-(diethylamino)-
Benzoic acid, p-(diethylamino)-
p-(Diethylamino)benzoic acid
p-N,N-Diethylaminobenzoic acid
4-N,N-Diethylaminobenzoic acid
NSC 14115

Work with 4-(Diethylamino)benzoic 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 acid22090-27-366 % similar 4,4'-Bis(diethylamino)benzophenone90-93-765 % similar 4-Piperidin-1-yl-benzoic acid22090-24-064 % similar 4-(4-Methylpiperazino)benzoic acid86620-62-463 % similar 4'-Diethylaminoacetophenone5520-66-161 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-660 % similar 4-Morpholinobenzoic acid7470-38-460 % similar 4-(Dimethylamino)benzoic acid619-84-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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