4-(Diethylamino)-2-hydroxybenzaldehyde

C₁₁H₁₅NO₂CAS 17754-90-4193.25 g/mol

Open in Covalent MOL file

Aldehyde Phenol Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO₂
Molar mass: 193.25 g/mol
Exact mass: 193.1103 Da
Melting point: 227–228 °C
logP: 2.05Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation84.5% of notifiers
H317 May cause an allergic skin reaction15.5% of notifiers
H319 Causes serious eye irritation84.5% of notifiers
H335 May cause respiratory irritation82.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects15.5% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

17754-90-4

SMILES

CCN(CC)c1ccc(C=O)c(O)c1

InChIKey

XFVZSRRZZNLWBW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzaldehyde, 4-(diethylamino)-2-hydroxy-
Salicylaldehyde, 4-(diethylamino)-
4-(Diethylamino)salicylaldehyde
p-(Diethylamino)salicylaldehyde
4-(N,N-Diethylamino)-2-hydroxybenzaldehyde
4-(N,N-Diethylamino)salicylic aldehyde
4-(N,N-Diethylamino)salicylaldehyde

Work with 4-(Diethylamino)-2-hydroxybenzaldehyde

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-(Diethylamino)-2-methylbenzaldehyde92-14-867 % similar 4-(Ethyl(2-hydroxyethyl)amino)-o-tolualdehyde21850-52-256 % similar 4-(Diethylamino)benzaldehyde120-21-854 % similar 3-[Ethyl(4-formyl-3-methylphenyl)amino]propanenitrile119-97-150 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-050 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-350 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-150 % similar 2,4-Dihydroxybenzaldehyde95-01-249 % 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 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2 2-Dimethylaminoethyl benzoate2208-05-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook