Diethylaniline

C₁₀H₁₅NCAS 91-66-7149.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅N
Molar mass: 149.24 g/mol
Exact mass: 149.1204 Da
Density: 0.9307 g/mL (at 20 °C)
Melting point: −38.8 °C
Boiling point: 216.3 °C
pKa: 6.57 (conjugate acid)
Flash point: 79 °C (closed cup)
Water solubility: 139 mg/L
logP: 2.53Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-054-00-8), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

91-66-7

SMILES

CCN(CC)c1ccccc1

InChIKey

GGSUCNLOZRCGPQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, N,N-diethyl-
Aniline, N,N-diethyl-
N,N-Diethylbenzenamine
N,N-Diethylaminobenzene
Diethylphenylamine
N,N-Diethylaniline
DEA
(Diethylamino)benzene
NSC 7205
NL 64-10P
N-Phenyldiethylamine

Work with Diethylaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylbenzylaniline92-59-171 % similar N-Ethyl-N-(2-chloroethyl)aniline92-49-968 % similar Solvent yellow 562481-94-965 % similar 2-(Ethylphenylamino)ethanol92-50-265 % similar 3-(Ethylphenylamino)propanenitrile148-87-863 % similar N,N-Diethyl-m-toluidine91-67-862 % similar N,N-Diethyl-p-toluidine613-48-958 % similar 4-(Diethylamino)benzaldehyde 2,2-diphenylhydrazone68189-23-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-1 3,4-Dimethylphenethylamine17283-14-6 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia