Chloro-N,N-diethylacetamide

C₆H₁₂ClNOCAS 2315-36-8149.62 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
Density: 1.0733 g/mL (at 20 °C)
Melting point: 58 °C
Boiling point: 148–150 °C
logP: 1.09Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed91.1% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H330 Fatal if inhaled91.1% 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

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2315-36-8

SMILES

CCN(CC)C(=O)CCl

InChIKey

CQQUWTMMFMJEFE-UHFFFAOYSA-N

InChI

InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Acetamide, 2-chloro-N,N-diethyl-
2-Chloro-N,N-diethylacetamide
α-Chloro-N,N-diethylacetamide
N-(Chloroacetyl)diethylamine
N,N-Diethyl-2-chloroacetamide
N,N-Diethylchloroacetamide
2-(Diethylamino)-2-oxoethyl chloride
CDEA
NSC 1726
N-(2-Chloroacetyl)diethylamine

Work with Chloro-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

Diethylpropionamide1114-51-861 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-654 % similar 2-Chloro-1-(1-piperidinyl)ethanone1440-60-452 % similar Diethylacetoacetamide2235-46-352 % similar 2-Cyano-N,N-diethylacetamide26391-06-050 % similar 2-Chloro-N,N-dimethylacetamide2675-89-050 % similar N,N-Diethyldodecanamide3352-87-248 % similar 4-(Chloroacetyl)morpholine1440-61-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-168960-19-8 4-(2-Chloroethyl)morpholine3240-94-6 3-Methylpiperidin-4-one hydrochloride4629-78-1 Azepan-4-one hydrochloride50492-22-3 4-Aminocyclohexanone hydrochloride675112-40-0 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-3

Elsewhere

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