4-[(2-Chloroethyl)methylamino]benzaldehyde

C₁₀H₁₂ClNOCAS 94-31-5197.66 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Tertiary amine

Properties

Molecular formula: C₁₀H₁₂ClNO
Molar mass: 197.66 g/mol
Exact mass: 197.0607 Da
Melting point: 70 °C
logP: 2.17Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

94-31-5

SMILES

CN(CCCl)c1ccc(C=O)cc1

InChIKey

IYFULQJDHJGQKQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 4-[(2-chloroethyl)methylamino]-
Benzaldehyde, p-[(2-chloroethyl)methylamino]-
4-(N-2-Chloroethyl-N-methylamino)benzaldehyde
4-[N-Methyl-N-(β-chloroethyl)amino]benzaldehyde

Work with 4-[(2-Chloroethyl)methylamino]benzaldehyde

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

4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-868 % similar 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-362 % similar 4-[(2-Chloroethyl)ethylamino]benzaldehyde2643-07-461 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-153 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-250 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-549 % similar 4-(Diethylamino)benzaldehyde120-21-849 % similar Tris(4-formylphenyl)amine119001-43-348 % similar

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

Same formula

2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-7 2-Chloro-N-(2-phenylethyl)acetamide13156-95-1

Elsewhere

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