N,N-Diethylacetamide

C₆H₁₃NOCAS 685-91-6115.18 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
Density: 0.913 g/mL (at 17 °C)
Melting point: below 20 °C
Boiling point: 185.5 °C
Flash point: 76.7 °C
logP: 0.87Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin87% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled87% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

685-91-6

SMILES

CCN(CC)C(C)=O

InChIKey

AJFDBNQQDYLMJN-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

Acetamide, N,N-diethyl-
N,N-Diethylethanamide
DEA
NSC 101

Work with N,N-Diethylacetamide

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

N-Acetylpyrrolidine4030-18-655 % similar N,N,N′,N′-Tetraethylurea1187-03-752 % similar 1-Acetylpiperidine618-42-852 % similar 1-Acetylpiperazine13889-98-048 % similar N-Acetylmorpholine1696-20-448 % similar 1-Acetyl-4-piperidone32161-06-148 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-646 % similar N-Ethyl-2-pyrrolidone2687-91-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

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