N-(2-Chloroethyl)acetamide

C₄H₈ClNOCAS 7355-58-0121.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈ClNO
Molar mass: 121.56 g/mol
Exact mass: 121.0294 Da
Density: 1.163 g/mL (at 20 °C)
Boiling point: 135–136 °C (at 10 Torr)
logP: 1.20Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed22.2% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation77.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

7355-58-0

SMILES

CC(O)=NCCCl

InChIKey

HSKNJSHFPPHTAQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)

Weigh it out

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

Names and synonyms

3 names

Acetamide, N-(2-chloroethyl)-
N-Acetyl-2-chloroethylamine
NSC 30247

Work with N-(2-Chloroethyl)acetamide

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

N,N'-Diacetylethylenediamine871-78-367 % similar Hexamethylene bisacetamide3073-59-458 % similar N-(2-Hydroxyethyl)acetamide142-26-756 % similar N-Acetyl-beta-alanine3025-95-448 % similar Ethylacetamide625-50-348 % similar N-(Hydroxymethyl)acetamide625-51-448 % similar 4-Acetamidobutyric acid3025-96-545 % similar N-(2-Phenylethyl)acetamide877-95-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Aminocyclobutan-1-one hydrochloride1035374-20-9 2-Chloro-N,N-dimethylacetamide2675-89-0 Pyrrolidin-3-one hydrochloride3760-52-9 N-Ethyl-N-methylcarbamic chloride42252-34-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook