4-(Diethylamino)benzaldehyde

C₁₁H₁₅NOCAS 120-21-8177.25 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
Melting point: 41 °C
logP: 2.35Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed68.2% of notifiers
H311 Toxic in contact with skin97.4% of notifiers
H315 Causes skin irritation99.4% of notifiers
H319 Causes serious eye irritation99.4% of notifiers
H335 May cause respiratory irritation98.1% of notifiers
H400 Very toxic to aquatic life67.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects68.2% of notifiers

Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

120-21-8

SMILES

CCN(CC)c1ccc(C=O)cc1

InChIKey

MNFZZNNFORDXSV-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

Benzaldehyde, 4-(diethylamino)-
Benzaldehyde, p-(diethylamino)-
p-(Diethylamino)benzaldehyde
p-Formyl-N,N-diethylaniline
4-(N,N-Diethylamino)benzaldehyde
4-Formyl-N,N-diethylaniline
p-(N,N-Diethylamino)benzaldehyde
NSC 8782
N,N-Diethyl-4-formylaniline
4-(N,N-Diethylamine)benzaldehyde
4-(N,N-Diethylphenyl)aldehyde
N,N-Diethylaminobenzaldehyde

Work with 4-(Diethylamino)benzaldehyde

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

p-((2-Chloroethyl)ethylamino)benzaldehyde2643-07-474 % similar 4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-570 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-262 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-560 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-159 % similar 4-Morpholinobenzaldehyde1204-86-056 % similar Tris(4-formylphenyl)amine119001-43-356 % similar para-Dimethylaminobenzaldehyde100-10-755 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3 N-tert-Butyl-α-phenylnitrone3376-24-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook