3,4-Dichloro-N-methylaniline

C₇H₇Cl₂NCAS 40750-59-2176.04 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₇H₇Cl₂N
Molar mass: 176.04 g/mol
Exact mass: 174.9956 Da
logP: 3.04Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

40750-59-2

SMILES

CNC1=CC(=C(C=C1)Cl)Cl

InChIKey

DUSNCFKVMGTTFK-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3

Weigh it out

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

Work with 3,4-Dichloro-N-methylaniline

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

3,4-Dichlorophenylhydrazine hydrochloride19763-90-752 % similar 3-Chloro-N-methylaniline7006-52-250 % similar 4-Chloro-N-methylbenzenamine932-96-750 % similar 3,4-Dichlorotoluene95-75-046 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-045 % similar 3-Fluoro-N-methylaniline1978-37-645 % similar N,3-Dimethylaniline696-44-645 % similar 3-Bromo-N-methylbenzenamine66584-32-543 % similar

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

Same formula

3,4-Dichlorobenzenemethanamine102-49-8 2,5-Dichlorobenzylamine10541-69-2 2,4-Dichloro-6-methylaniline30273-00-8 2,6-Bis(chloromethyl)pyridine3099-28-3 2,3-Dichlorobenzylamine39226-95-4 3,5-Dichlorobenzylamine39989-43-0 2,6-Dichloro-3-methylaniline64063-37-2 2,6-Dichlorobenzylamine6575-27-5

Elsewhere

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