chempirical

2,4-Dichlorobenzenemethanamine

C7H7Cl2NCAS 95-00-1176.04 g/mol

Open in Covalent MOL file
H2NClCl
Aryl halidePrimary amine

Properties

Molecular formula
C7H7Cl2N
Molar mass
176.04 g/mol
Exact mass
174.9956 Da
Melting point
309–311 °C
Boiling point
135 °C (at 15 Torr)
logP
2.45Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
95-00-1
SMILES
NCc1ccc(Cl)cc1Cl
InChIKey
SJUKJZSTBBSGHF-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanamine, 2,4-dichloro-
  • Benzylamine, 2,4-dichloro-
  • 2,4-Dichlorobenzylamine
  • o,p-Dichlorobenzylamine
  • ((2,4-Dichlorophenyl)methyl)amine
  • NSC 25064
  • 1-(2,4-Dichlorophenyl)methanamine
  • (2,4-Dichlorophenyl)methanamine

Work with 2,4-Dichlorobenzenemethanamine

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

2,4-Dichlorobenzyl chloride94-99-561 % similar 2-Chlorobenzylamine89-97-459 % similar 2,4-Dichlorobenzyl alcohol1777-82-859 % similar 2,4-Dichlorobenzyl bromide20443-99-659 % similar 2,4-Dichlorobenzenemethanethiol59293-67-359 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-655 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-153 % similar 1,2,4-Trichlorobenzene120-82-150 % 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 2,6-Dichloro-3-methylaniline64063-37-2

Elsewhere

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