(2,4-Dichlorobenzyl)methylamine hydrochloride

C₈H₁₀Cl₃NCAS 90389-07-4226.52 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₁₀Cl₃N
Molar mass: 226.52 g/mol
Exact mass: 224.9879 Da
logP: 3.13Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

90389-07-4

SMILES

CNCC1=C(C=C(C=C1)Cl)Cl.Cl

InChIKey

YDLOOYIAVJPBIT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H

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Names and synonyms

1 names

[(2,4-Dichlorophenyl)methyl](methyl)amine hydrochloride

Work with (2,4-Dichlorobenzyl)methylamine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2,4-Dichlorobenzyl)methylamine5013-77-4Free base

Similar compounds

2-Chloro-N-methylbenzenemethanamine94-64-458 % similar 2,4-Dichlorobenzyl chloride94-99-550 % similar 2,4-Dichlorobenzyl alcohol1777-82-849 % similar 2,4-Dichlorobenzyl bromide20443-99-649 % similar 2,4-Dichlorobenzenemethanethiol59293-67-349 % similar 2,4-Dichlorobenzenemethanamine95-00-149 % similar 4-Chloro-N-methylbenzenemethanamine104-11-047 % similar 2,4-Dichlorophenylhydrazine hydrochloride5446-18-446 % similar

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

Elsewhere

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