N-Ethyl-N-methylcarbamic chloride

C₄H₈ClNOCAS 42252-34-6121.56 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₄H₈ClNO
Molar mass: 121.56 g/mol
Exact mass: 121.0294 Da
Boiling point: 88–89 °C (at 40 Torr)
logP: 1.30Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H314 Causes severe skin burns and eye damage12.5% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 32 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, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

42252-34-6

SMILES

CCN(C)C(=O)Cl

InChIKey

XZVYDRLPXWFRIS-UHFFFAOYSA-N

InChI

InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Carbamic chloride, N-ethyl-N-methyl-
Carbamic chloride, ethylmethyl-
N-Ethyl-N-methylcarbamoyl chloride
N-Methyl-N-ethylcarbamyl chloride
Ethylmethylcarbamoyl chloride
Ethyl(methyl)carbamic chloride

Work with N-Ethyl-N-methylcarbamic chloride

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

Diethylcarbamoyl chloride88-10-858 % similar Dimethylcarbamoyl chloride79-44-746 % similar 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride59703-00-342 % similar 4-Methyl-1-piperazinecarbonyl chloride39539-66-741 % similar N,N-Bis(1-methylethyl)carbamic chloride19009-39-341 % similar 4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-038 % similar 1-Pyrrolidinecarbonyl chloride1192-63-837 % similar N,N,N′,N′-Tetraethylurea1187-03-735 % 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-(2-Chloroethyl)acetamide7355-58-0

Elsewhere

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