3,5-Dichlorobenzylamine

C₇H₇Cl₂NCAS 39989-43-0176.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇Cl₂N
Molar mass: 176.04 g/mol
Exact mass: 174.9956 Da
logP: 2.45Crippen estimate
Polar surface area: 26.0 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

39989-43-0

SMILES

C1=C(C=C(C=C1Cl)Cl)CN

InChIKey

ICIJWOWQUHHETJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2

Weigh it out

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Names and synonyms

1 names

Benzenemethanamine, 3,5-dichloro-

Work with 3,5-Dichlorobenzylamine

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-Chloro-5-fluorobenzylamine90390-33-368 % similar 3-Chlorobenzylamine4152-90-363 % similar 4-Chlorobenzylamine104-86-957 % similar 1,3-Dichloro-5-(chloromethyl)benzene3290-06-052 % similar 2,6-Dichloropyridine-4-methylamine88579-63-952 % similar 1,3,5-Trichlorobenzene108-70-350 % similar 3,5-Dichlorobenzyl alcohol60211-57-650 % similar M-Xylylenediamine1477-55-048 % 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 3,4-Dichloro-N-methylaniline40750-59-2 2,6-Dichloro-3-methylaniline64063-37-2 2,6-Dichlorobenzylamine6575-27-5

Elsewhere

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