2-Chloro-N-(1-methylethyl)acetamide

C₅H₁₀ClNOCAS 2895-21-8135.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀ClNO
Molar mass: 135.59 g/mol
Exact mass: 135.0451 Da
Melting point: 62 °C
logP: 1.59Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2895-21-8

SMILES

CC(C)N=C(O)CCl

InChIKey

GYPNJSBBOATUPK-UHFFFAOYSA-N

InChI

InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)

Weigh it out

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

Names and synonyms

9 names

Acetamide, 2-chloro-N-(1-methylethyl)-
Acetamide, 2-chloro-N-isopropyl-
α-Chloro-N-isopropylacetamide
2-Chloro-N-isopropylacetamide
N-Isopropylchloroacetamide
N-Isopropyl-2-chloroacetamide
NSC 165658
N-(Chloroacetyl)isopropylamine
2-Chloro-N-(propan-2-yl)acetamide

Work with 2-Chloro-N-(1-methylethyl)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-(2-Chloroacetyl)alanine1190-32-555 % similar N-(2-Chloroacetyl)-L-valine2279-16-552 % similar N-(2-Chloroacetyl)valine4090-17-952 % similar 2-Chloro-N-methylacetamide96-30-050 % similar N-(2-Chloroacetyl)-L-leucine688-12-049 % similar N-Methylol-α-chloroacetamide2832-19-143 % similar Prothoate2275-18-538 % similar 2-Chloro-N-(3,5-dichlorophenyl)acetamide33560-48-438 % similar

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

Same formula

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hcl31560-06-2 4-Piperidone hydrochloride41979-39-9 Piperidin-3-one hydrochloride61644-00-6 Diethylcarbamoyl chloride88-10-8

Elsewhere

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